annotate test-data/npt.pdb @ 2:d861e980340f draft default tip

"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit b1b74e91a242f2de250761a79b17d77e68b1045f"
author chemteam
date Fri, 30 Aug 2019 15:05:30 -0400
parents f425c1453662
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1 TITLE LYSOZYME in water
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2 REMARK THIS IS A SIMULATION BOX
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3 CRYST1 72.593 72.593 72.593 90.00 90.00 90.00 P 1 1
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4 MODEL 1
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5 ATOM 1 N LYS 1 44.080 33.500 23.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6 ATOM 2 H1 LYS 1 43.570 34.190 24.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7 ATOM 3 H2 LYS 1 44.950 33.910 23.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8 ATOM 4 H3 LYS 1 43.440 33.280 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9 ATOM 5 CA LYS 1 44.510 32.340 24.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10 ATOM 6 HA LYS 1 44.950 31.590 23.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11 ATOM 7 CB LYS 1 45.510 32.810 25.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12 ATOM 8 HB1 LYS 1 46.400 33.160 25.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13 ATOM 9 HB2 LYS 1 45.200 33.590 26.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14 ATOM 10 CG LYS 1 46.040 31.650 26.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15 ATOM 11 HG1 LYS 1 45.200 31.340 27.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16 ATOM 12 HG2 LYS 1 46.250 30.800 25.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17 ATOM 13 CD LYS 1 47.340 31.790 27.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18 ATOM 14 HD1 LYS 1 48.120 32.060 26.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19 ATOM 15 HD2 LYS 1 47.240 32.680 27.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20 ATOM 16 CE LYS 1 47.650 30.530 28.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21 ATOM 17 HE1 LYS 1 46.940 30.360 28.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22 ATOM 18 HE2 LYS 1 47.660 29.700 27.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23 ATOM 19 NZ LYS 1 48.950 30.620 28.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24 ATOM 20 HZ1 LYS 1 48.940 29.910 29.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25 ATOM 21 HZ2 LYS 1 49.750 30.320 28.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26 ATOM 22 HZ3 LYS 1 49.130 31.520 29.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27 ATOM 23 C LYS 1 43.250 31.700 25.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28 ATOM 24 O LYS 1 42.260 32.360 25.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29 ATOM 25 N VAL 2 43.310 30.380 25.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30 ATOM 26 H VAL 2 44.200 29.980 25.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31 ATOM 27 CA VAL 2 42.400 29.530 26.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32 ATOM 28 HA VAL 2 41.600 30.100 26.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33 ATOM 29 CB VAL 2 41.810 28.480 25.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34 ATOM 30 HB VAL 2 42.530 27.670 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35 ATOM 31 CG1 VAL 2 40.650 27.800 25.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36 ATOM 32 1HG1 VAL 2 40.370 26.840 25.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37 ATOM 33 2HG1 VAL 2 40.850 27.580 26.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38 ATOM 34 3HG1 VAL 2 39.850 28.530 25.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
39 ATOM 35 CG2 VAL 2 41.420 29.010 23.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
40 ATOM 36 1HG2 VAL 2 40.770 28.440 23.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
41 ATOM 37 2HG2 VAL 2 40.910 29.960 23.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
42 ATOM 38 3HG2 VAL 2 42.370 29.110 23.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
43 ATOM 39 C VAL 2 43.370 28.830 27.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
44 ATOM 40 O VAL 2 44.230 28.050 26.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
45 ATOM 41 N PHE 3 43.240 28.980 28.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
46 ATOM 42 H PHE 3 42.470 29.560 28.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
47 ATOM 43 CA PHE 3 44.070 28.260 29.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
48 ATOM 44 HA PHE 3 45.130 28.210 29.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
49 ATOM 45 CB PHE 3 43.970 28.990 30.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
50 ATOM 46 HB1 PHE 3 42.940 29.260 30.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
51 ATOM 47 HB2 PHE 3 44.040 28.360 31.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
52 ATOM 48 CG PHE 3 44.970 30.110 30.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
53 ATOM 49 CD1 PHE 3 44.630 31.340 30.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
54 ATOM 50 HD1 PHE 3 43.740 31.480 29.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
55 ATOM 51 CD2 PHE 3 46.160 29.970 31.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
56 ATOM 52 HD2 PHE 3 46.400 29.010 31.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
57 ATOM 53 CE1 PHE 3 45.520 32.420 30.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
58 ATOM 54 HE1 PHE 3 45.290 33.370 29.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
59 ATOM 55 CE2 PHE 3 47.060 31.030 31.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
60 ATOM 56 HE2 PHE 3 47.940 30.860 32.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
61 ATOM 57 CZ PHE 3 46.670 32.250 31.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
62 ATOM 58 HZ PHE 3 47.250 33.130 31.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
63 ATOM 59 C PHE 3 43.500 26.870 29.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
64 ATOM 60 O PHE 3 42.350 26.550 29.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
65 ATOM 61 N GLY 4 44.310 26.000 30.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
66 ATOM 62 H GLY 4 45.110 26.400 30.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
67 ATOM 63 CA GLY 4 43.820 24.750 30.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
68 ATOM 64 HA1 GLY 4 42.910 24.400 30.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
69 ATOM 65 HA2 GLY 4 44.710 24.120 30.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
70 ATOM 66 C GLY 4 43.540 24.820 32.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
71 ATOM 67 O GLY 4 43.950 25.750 32.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
72 ATOM 68 N ARG 5 42.760 23.840 32.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
73 ATOM 69 H ARG 5 42.570 23.050 32.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
74 ATOM 70 CA ARG 5 42.180 23.830 33.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
75 ATOM 71 HA ARG 5 41.590 24.740 33.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
76 ATOM 72 CB ARG 5 41.230 22.650 34.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
77 ATOM 73 HB1 ARG 5 40.490 22.730 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
78 ATOM 74 HB2 ARG 5 41.800 21.740 33.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
79 ATOM 75 CG ARG 5 40.550 22.510 35.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
80 ATOM 76 HG1 ARG 5 41.240 22.580 36.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
81 ATOM 77 HG2 ARG 5 39.900 23.380 35.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
82 ATOM 78 CD ARG 5 39.770 21.210 35.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
83 ATOM 79 HD1 ARG 5 39.440 21.120 36.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
84 ATOM 80 HD2 ARG 5 38.970 21.150 34.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
85 ATOM 81 NE ARG 5 40.630 20.060 35.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
86 ATOM 82 HE ARG 5 40.830 19.950 34.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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87 ATOM 83 CZ ARG 5 41.290 19.310 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
88 ATOM 84 NH1 ARG 5 41.360 19.570 37.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
89 ATOM 85 1HH1 ARG 5 40.910 20.410 37.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
90 ATOM 86 2HH1 ARG 5 41.810 18.980 38.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
91 ATOM 87 NH2 ARG 5 41.940 18.240 35.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
92 ATOM 88 1HH2 ARG 5 42.040 18.140 34.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
93 ATOM 89 2HH2 ARG 5 41.990 17.440 36.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
94 ATOM 90 C ARG 5 43.190 23.880 35.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
95 ATOM 91 O ARG 5 43.100 24.700 35.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
96 ATOM 92 N CYS 6 44.260 23.100 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
97 ATOM 93 H CYS 6 44.390 22.600 34.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
98 ATOM 94 CA CYS 6 45.250 23.020 36.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
99 ATOM 95 HA CYS 6 44.840 23.120 37.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
100 ATOM 96 CB CYS 6 46.130 21.780 35.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
101 ATOM 97 HB1 CYS 6 46.540 21.650 34.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
102 ATOM 98 HB2 CYS 6 46.950 21.770 36.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
103 ATOM 99 SG CYS 6 45.110 20.370 36.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
104 ATOM 100 C CYS 6 46.260 24.150 35.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
105 ATOM 101 O CYS 6 46.700 24.760 36.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
106 ATOM 102 N GLU 7 46.460 24.670 34.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
107 ATOM 103 H GLU 7 45.990 24.290 33.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
108 ATOM 104 CA GLU 7 47.370 25.750 34.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
109 ATOM 105 HA GLU 7 48.370 25.610 34.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
110 ATOM 106 CB GLU 7 47.400 25.900 32.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
111 ATOM 107 HB1 GLU 7 47.740 24.920 32.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
112 ATOM 108 HB2 GLU 7 46.410 26.200 32.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
113 ATOM 109 CG GLU 7 48.380 26.900 32.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
114 ATOM 110 HG1 GLU 7 48.630 27.710 32.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
115 ATOM 111 HG2 GLU 7 49.340 26.380 32.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
116 ATOM 112 CD GLU 7 48.170 27.340 30.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
117 ATOM 113 OE1 GLU 7 47.170 26.860 30.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
118 ATOM 114 OE2 GLU 7 48.890 28.210 30.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
119 ATOM 115 C GLU 7 46.800 27.070 34.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
120 ATOM 116 O GLU 7 47.500 28.030 35.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
121 ATOM 117 N LEU 8 45.470 27.200 34.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
122 ATOM 118 H LEU 8 44.850 26.490 34.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
123 ATOM 119 CA LEU 8 44.770 28.390 35.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
124 ATOM 120 HA LEU 8 45.260 29.320 34.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
125 ATOM 121 CB LEU 8 43.380 28.240 34.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
126 ATOM 122 HB1 LEU 8 43.490 28.070 33.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
127 ATOM 123 HB2 LEU 8 42.880 27.400 35.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
128 ATOM 124 CG LEU 8 42.470 29.450 34.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
129 ATOM 125 HG LEU 8 42.500 29.740 35.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
130 ATOM 126 CD1 LEU 8 42.940 30.670 34.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
131 ATOM 127 1HD1 LEU 8 42.250 31.510 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
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132 ATOM 128 2HD1 LEU 8 43.970 31.000 34.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
133 ATOM 129 3HD1 LEU 8 42.830 30.450 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
134 ATOM 130 CD2 LEU 8 41.020 29.060 34.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
135 ATOM 131 1HD2 LEU 8 40.550 30.000 34.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
136 ATOM 132 2HD2 LEU 8 40.810 28.300 33.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
137 ATOM 133 3HD2 LEU 8 40.720 28.630 35.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
138 ATOM 134 C LEU 8 44.680 28.440 36.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
139 ATOM 135 O LEU 8 44.900 29.500 37.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
140 ATOM 136 N ALA 9 44.380 27.300 37.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
141 ATOM 137 H ALA 9 44.480 26.420 36.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
142 ATOM 138 CA ALA 9 44.550 27.120 38.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
143 ATOM 139 HA ALA 9 43.780 27.680 39.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
144 ATOM 140 CB ALA 9 44.360 25.650 39.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
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145 ATOM 141 HB1 ALA 9 44.670 25.560 40.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
146 ATOM 142 HB2 ALA 9 43.340 25.260 39.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
147 ATOM 143 HB3 ALA 9 44.940 24.970 38.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
148 ATOM 144 C ALA 9 45.880 27.600 39.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
149 ATOM 145 O ALA 9 45.910 28.270 40.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
150 ATOM 146 N ALA 10 46.970 27.250 38.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
151 ATOM 147 H ALA 10 46.760 26.650 37.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
152 ATOM 148 CA ALA 10 48.320 27.660 39.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
153 ATOM 149 HA ALA 10 48.570 27.350 40.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
154 ATOM 150 CB ALA 10 49.300 26.900 38.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
155 ATOM 151 HB1 ALA 10 50.350 27.170 38.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
156 ATOM 152 HB2 ALA 10 49.240 25.820 38.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
157 ATOM 153 HB3 ALA 10 49.110 27.060 37.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
158 ATOM 154 C ALA 10 48.530 29.160 38.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
159 ATOM 155 O ALA 10 49.150 29.720 39.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
160 ATOM 156 N ALA 11 47.980 29.830 37.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
161 ATOM 157 H ALA 11 47.460 29.250 37.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
162 ATOM 158 CA ALA 11 48.050 31.270 37.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
163 ATOM 159 HA ALA 11 49.090 31.580 37.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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164 ATOM 160 CB ALA 11 47.600 31.660 36.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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165 ATOM 161 HB1 ALA 11 47.850 32.660 35.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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166 ATOM 162 HB2 ALA 11 47.970 31.040 35.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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167 ATOM 163 HB3 ALA 11 46.510 31.610 36.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
168 ATOM 164 C ALA 11 47.200 31.910 38.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
169 ATOM 165 O ALA 11 47.700 32.840 39.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
170 ATOM 166 N MET 12 45.980 31.500 39.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
171 ATOM 167 H MET 12 45.530 30.780 38.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
172 ATOM 168 CA MET 12 45.110 32.090 40.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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173 ATOM 169 HA MET 12 44.880 33.120 39.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
174 ATOM 170 CB MET 12 43.840 31.230 40.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
175 ATOM 171 HB1 MET 12 43.980 30.150 40.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
176 ATOM 172 HB2 MET 12 43.320 31.430 41.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
177 ATOM 173 CG MET 12 42.840 31.640 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
178 ATOM 174 HG1 MET 12 42.490 32.610 39.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
179 ATOM 175 HG2 MET 12 43.470 31.790 38.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
180 ATOM 176 SD MET 12 41.390 30.580 38.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
181 ATOM 177 CE MET 12 40.490 31.690 37.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
182 ATOM 178 HE1 MET 12 40.900 31.770 36.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
183 ATOM 179 HE2 MET 12 39.460 31.460 37.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
184 ATOM 180 HE3 MET 12 40.570 32.670 38.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
185 ATOM 181 C MET 12 45.710 31.870 41.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
186 ATOM 182 O MET 12 45.580 32.730 42.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
187 ATOM 183 N LYS 13 46.470 30.790 41.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
188 ATOM 184 H LYS 13 46.530 30.020 41.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
189 ATOM 185 CA LYS 13 47.170 30.570 42.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
190 ATOM 186 HA LYS 13 46.440 30.580 43.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
191 ATOM 187 CB LYS 13 47.640 29.110 42.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
192 ATOM 188 HB1 LYS 13 46.830 28.390 42.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
193 ATOM 189 HB2 LYS 13 48.210 28.930 41.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
194 ATOM 190 CG LYS 13 48.560 28.680 44.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
195 ATOM 191 HG1 LYS 13 49.320 27.940 43.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
196 ATOM 192 HG2 LYS 13 49.230 29.500 44.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
197 ATOM 193 CD LYS 13 47.860 28.290 45.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
198 ATOM 194 HD1 LYS 13 48.540 28.370 46.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
199 ATOM 195 HD2 LYS 13 47.000 28.920 45.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
200 ATOM 196 CE LYS 13 47.420 26.830 45.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
201 ATOM 197 HE1 LYS 13 46.750 26.570 44.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
202 ATOM 198 HE2 LYS 13 48.240 26.100 45.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
203 ATOM 199 NZ LYS 13 46.970 26.410 46.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
204 ATOM 200 HZ1 LYS 13 46.760 25.420 46.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
205 ATOM 201 HZ2 LYS 13 47.600 26.590 47.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
206 ATOM 202 HZ3 LYS 13 46.200 27.010 46.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
207 ATOM 203 C LYS 13 48.240 31.620 43.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
208 ATOM 204 O LYS 13 48.290 32.100 44.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
209 ATOM 205 N ARG 14 49.090 32.020 42.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
210 ATOM 206 H ARG 14 48.870 31.840 41.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
211 ATOM 207 CA ARG 14 50.250 32.870 42.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
212 ATOM 208 HA ARG 14 50.630 32.650 43.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
213 ATOM 209 CB ARG 14 51.250 32.440 41.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
214 ATOM 210 HB1 ARG 14 52.220 32.840 41.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
215 ATOM 211 HB2 ARG 14 51.480 31.380 41.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
216 ATOM 212 CG ARG 14 51.090 32.950 39.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
217 ATOM 213 HG1 ARG 14 50.100 32.620 39.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
218 ATOM 214 HG2 ARG 14 51.070 34.030 40.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
219 ATOM 215 CD ARG 14 52.190 32.540 38.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
220 ATOM 216 HD1 ARG 14 52.300 33.340 38.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
221 ATOM 217 HD2 ARG 14 53.150 32.460 39.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
222 ATOM 218 NE ARG 14 52.060 31.140 38.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
223 ATOM 219 HE ARG 14 52.460 30.460 39.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
224 ATOM 220 CZ ARG 14 51.630 30.700 37.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
225 ATOM 221 NH1 ARG 14 51.290 31.580 36.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
226 ATOM 222 1HH1 ARG 14 51.040 32.510 36.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
227 ATOM 223 2HH1 ARG 14 50.960 31.330 35.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
228 ATOM 224 NH2 ARG 14 51.500 29.390 37.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
229 ATOM 225 1HH2 ARG 14 51.990 28.730 37.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
230 ATOM 226 2HH2 ARG 14 50.930 29.120 36.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
231 ATOM 227 C ARG 14 49.810 34.330 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
232 ATOM 228 O ARG 14 50.490 35.200 43.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
233 ATOM 229 N HIS 15 48.680 34.600 41.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
234 ATOM 230 H HIS 15 48.290 33.860 41.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
235 ATOM 231 CA HIS 15 48.060 35.910 41.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
236 ATOM 232 HA HIS 15 48.880 36.640 41.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
237 ATOM 233 CB HIS 15 47.210 36.200 40.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
238 ATOM 234 HB1 HIS 15 46.630 35.310 40.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
239 ATOM 235 HB2 HIS 15 46.510 37.000 40.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
240 ATOM 236 CG HIS 15 47.940 36.690 39.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
241 ATOM 237 ND1 HIS 15 47.260 36.820 38.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
242 ATOM 238 CD2 HIS 15 49.260 37.030 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
243 ATOM 239 HD2 HIS 15 50.170 37.030 39.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
244 ATOM 240 CE1 HIS 15 48.210 37.170 37.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
245 ATOM 241 HE1 HIS 15 48.040 37.330 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
246 ATOM 242 NE2 HIS 15 49.420 37.220 37.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
247 ATOM 243 HE2 HIS 15 50.250 37.610 37.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
248 ATOM 244 C HIS 15 47.160 36.220 43.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
249 ATOM 245 O HIS 15 46.850 37.370 43.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
250 ATOM 246 N GLY 16 46.910 35.160 43.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
251 ATOM 247 H GLY 16 47.170 34.280 43.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
252 ATOM 248 CA GLY 16 46.670 35.090 45.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
253 ATOM 249 HA1 GLY 16 47.290 34.330 45.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
254 ATOM 250 HA2 GLY 16 47.200 35.870 45.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
255 ATOM 251 C GLY 16 45.200 34.910 45.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
256 ATOM 252 O GLY 16 44.780 35.310 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
257 ATOM 253 N LEU 17 44.440 34.400 44.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
258 ATOM 254 H LEU 17 44.990 33.970 43.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
259 ATOM 255 CA LEU 17 43.000 34.200 44.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
260 ATOM 256 HA LEU 17 42.420 35.000 45.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
261 ATOM 257 CB LEU 17 42.510 33.990 43.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
262 ATOM 258 HB1 LEU 17 43.110 33.190 42.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
263 ATOM 259 HB2 LEU 17 41.510 33.550 43.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
264 ATOM 260 CG LEU 17 42.430 35.230 42.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
265 ATOM 261 HG LEU 17 43.390 35.710 42.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
266 ATOM 262 CD1 LEU 17 41.900 34.810 40.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
267 ATOM 263 1HD1 LEU 17 41.560 35.660 40.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
268 ATOM 264 2HD1 LEU 17 42.720 34.350 40.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
269 ATOM 265 3HD1 LEU 17 41.060 34.120 40.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
270 ATOM 266 CD2 LEU 17 41.540 36.340 42.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
271 ATOM 267 1HD2 LEU 17 41.270 37.230 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
272 ATOM 268 2HD2 LEU 17 40.600 35.840 43.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
273 ATOM 269 3HD2 LEU 17 41.890 36.690 43.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
274 ATOM 270 C LEU 17 42.550 33.000 45.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
275 ATOM 271 O LEU 17 41.400 32.900 45.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
276 ATOM 272 N ASP 18 43.350 31.970 45.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
277 ATOM 273 H ASP 18 44.300 31.970 45.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
278 ATOM 274 CA ASP 18 43.010 30.810 46.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
279 ATOM 275 HA ASP 18 42.070 30.400 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
280 ATOM 276 CB ASP 18 44.030 29.680 46.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
281 ATOM 277 HB1 ASP 18 44.340 29.420 45.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
282 ATOM 278 HB2 ASP 18 44.930 30.130 46.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
283 ATOM 279 CG ASP 18 43.810 28.430 47.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
284 ATOM 280 OD1 ASP 18 42.690 28.020 47.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
285 ATOM 281 OD2 ASP 18 44.850 27.780 47.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
286 ATOM 282 C ASP 18 42.840 31.110 48.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
287 ATOM 283 O ASP 18 43.780 31.550 48.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
288 ATOM 284 N ASN 19 41.620 31.070 48.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
289 ATOM 285 H ASN 19 40.890 30.960 47.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
290 ATOM 286 CA ASN 19 41.120 31.560 49.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
291 ATOM 287 HA ASN 19 40.160 31.060 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
292 ATOM 288 CB ASN 19 41.960 30.960 50.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
293 ATOM 289 HB1 ASN 19 42.260 29.920 50.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
294 ATOM 290 HB2 ASN 19 42.910 31.480 50.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
295 ATOM 291 CG ASN 19 41.270 30.970 52.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
296 ATOM 292 OD1 ASN 19 40.310 30.240 52.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
297 ATOM 293 ND2 ASN 19 41.700 31.830 53.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
298 ATOM 294 1HD2 ASN 19 42.420 32.490 53.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
299 ATOM 295 2HD2 ASN 19 41.390 31.900 54.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
300 ATOM 296 C ASN 19 40.790 33.050 49.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
301 ATOM 297 O ASN 19 40.560 33.600 50.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
302 ATOM 298 N TYR 20 40.820 33.790 48.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
303 ATOM 299 H TYR 20 41.040 33.360 47.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
304 ATOM 300 CA TYR 20 40.580 35.220 48.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
305 ATOM 301 HA TYR 20 41.230 35.720 49.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
306 ATOM 302 CB TYR 20 41.010 35.830 47.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
307 ATOM 303 HB1 TYR 20 42.040 35.550 47.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
308 ATOM 304 HB2 TYR 20 40.490 35.370 46.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
309 ATOM 305 CG TYR 20 41.010 37.330 47.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
310 ATOM 306 CD1 TYR 20 42.090 38.050 47.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
311 ATOM 307 HD1 TYR 20 42.910 37.550 48.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
312 ATOM 308 CD2 TYR 20 39.950 38.040 46.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
313 ATOM 309 HD2 TYR 20 39.070 37.490 46.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
314 ATOM 310 CE1 TYR 20 42.170 39.450 47.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
315 ATOM 311 HE1 TYR 20 42.980 39.910 48.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
316 ATOM 312 CE2 TYR 20 39.910 39.440 46.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
317 ATOM 313 HE2 TYR 20 39.040 39.960 46.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
318 ATOM 314 CZ TYR 20 41.020 40.110 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
319 ATOM 315 OH TYR 20 41.170 41.460 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
320 ATOM 316 HH TYR 20 42.060 41.760 47.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
321 ATOM 317 C TYR 20 39.100 35.520 48.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
322 ATOM 318 O TYR 20 38.280 35.310 48.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
323 ATOM 319 N ARG 21 38.800 36.230 50.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
324 ATOM 320 H ARG 21 39.580 36.670 50.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
325 ATOM 321 CA ARG 21 37.520 36.640 50.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
326 ATOM 322 HA ARG 21 37.640 37.270 51.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
327 ATOM 323 CB ARG 21 36.680 37.470 49.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
328 ATOM 324 HB1 ARG 21 36.510 36.880 48.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
329 ATOM 325 HB2 ARG 21 35.650 37.510 49.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
330 ATOM 326 CG ARG 21 37.450 38.760 49.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
331 ATOM 327 HG1 ARG 21 38.430 38.550 48.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
332 ATOM 328 HG2 ARG 21 36.960 39.370 48.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
333 ATOM 329 CD ARG 21 37.410 39.690 50.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
334 ATOM 330 HD1 ARG 21 36.860 40.590 50.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
335 ATOM 331 HD2 ARG 21 36.820 39.400 51.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
336 ATOM 332 NE ARG 21 38.770 39.900 51.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
337 ATOM 333 HE ARG 21 39.300 39.180 51.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
338 ATOM 334 CZ ARG 21 39.280 41.140 51.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
339 ATOM 335 NH1 ARG 21 40.290 41.390 51.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
340 ATOM 336 1HH1 ARG 21 40.270 41.030 52.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
341 ATOM 337 2HH1 ARG 21 40.590 42.350 51.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
342 ATOM 338 NH2 ARG 21 38.840 42.090 50.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
343 ATOM 339 1HH2 ARG 21 38.140 42.000 49.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
344 ATOM 340 2HH2 ARG 21 39.250 43.000 50.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
345 ATOM 341 C ARG 21 36.890 35.400 51.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
346 ATOM 342 O ARG 21 35.690 35.450 51.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
347 ATOM 343 N GLY 22 37.610 34.320 51.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
348 ATOM 344 H GLY 22 38.620 34.280 51.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
349 ATOM 345 CA GLY 22 37.000 33.090 51.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
350 ATOM 346 HA1 GLY 22 37.690 32.940 52.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
351 ATOM 347 HA2 GLY 22 36.070 33.210 52.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
352 ATOM 348 C GLY 22 36.950 32.060 50.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
353 ATOM 349 O GLY 22 36.990 30.890 51.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
354 ATOM 350 N TYR 23 36.970 32.400 49.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
355 ATOM 351 H TYR 23 36.880 33.390 49.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
356 ATOM 352 CA TYR 23 36.750 31.480 48.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
357 ATOM 353 HA TYR 23 35.970 30.770 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
358 ATOM 354 CB TYR 23 36.310 32.390 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
359 ATOM 355 HB1 TYR 23 37.070 33.140 47.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
360 ATOM 356 HB2 TYR 23 36.370 31.950 46.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
361 ATOM 357 CG TYR 23 34.960 33.040 47.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
362 ATOM 358 CD1 TYR 23 33.800 32.280 47.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
363 ATOM 359 HD1 TYR 23 33.810 31.230 47.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
364 ATOM 360 CD2 TYR 23 34.880 34.370 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
365 ATOM 361 HD2 TYR 23 35.780 34.960 48.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
366 ATOM 362 CE1 TYR 23 32.560 32.870 47.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
367 ATOM 363 HE1 TYR 23 31.600 32.390 47.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
368 ATOM 364 CE2 TYR 23 33.610 34.920 48.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
369 ATOM 365 HE2 TYR 23 33.540 35.950 48.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
370 ATOM 366 CZ TYR 23 32.430 34.210 47.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
371 ATOM 367 OH TYR 23 31.230 34.840 47.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
372 ATOM 368 HH TYR 23 30.840 34.950 48.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
373 ATOM 369 C TYR 23 38.010 30.740 48.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
374 ATOM 370 O TYR 23 38.870 31.250 47.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
375 ATOM 371 N SER 24 38.000 29.430 48.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
376 ATOM 372 H SER 24 37.140 28.990 48.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
377 ATOM 373 CA SER 24 38.940 28.470 47.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
378 ATOM 374 HA SER 24 39.860 28.810 48.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
379 ATOM 375 CB SER 24 38.570 27.120 48.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
380 ATOM 376 HB1 SER 24 39.430 26.490 48.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
381 ATOM 377 HB2 SER 24 38.630 27.100 49.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
382 ATOM 378 OG SER 24 37.340 26.640 47.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
383 ATOM 379 HG SER 24 36.950 25.990 48.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
384 ATOM 380 C SER 24 39.040 28.520 46.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
385 ATOM 381 O SER 24 38.050 28.740 45.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
386 ATOM 382 N LEU 25 40.240 28.210 45.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
387 ATOM 383 H LEU 25 40.960 28.000 46.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
388 ATOM 384 CA LEU 25 40.730 28.200 44.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
389 ATOM 385 HA LEU 25 41.000 29.230 44.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
390 ATOM 386 CB LEU 25 41.990 27.350 44.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
391 ATOM 387 HB1 LEU 25 42.680 27.710 45.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
392 ATOM 388 HB2 LEU 25 41.700 26.320 44.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
393 ATOM 389 CG LEU 25 42.690 27.280 42.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
394 ATOM 390 HG LEU 25 42.160 26.750 42.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
395 ATOM 391 CD1 LEU 25 42.920 28.700 42.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
396 ATOM 392 1HD1 LEU 25 43.890 28.750 41.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
397 ATOM 393 2HD1 LEU 25 42.060 29.060 41.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
398 ATOM 394 3HD1 LEU 25 42.920 29.460 43.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
399 ATOM 395 CD2 LEU 25 44.070 26.660 43.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
400 ATOM 396 1HD2 LEU 25 44.690 26.660 42.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
401 ATOM 397 2HD2 LEU 25 44.630 27.170 43.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
402 ATOM 398 3HD2 LEU 25 44.040 25.610 43.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
403 ATOM 399 C LEU 25 39.680 27.690 43.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
404 ATOM 400 O LEU 25 39.420 28.290 42.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
405 ATOM 401 N GLY 26 39.090 26.510 43.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
406 ATOM 402 H GLY 26 39.470 26.050 44.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
407 ATOM 403 CA GLY 26 38.080 25.740 42.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
408 ATOM 404 HA1 GLY 26 38.610 25.360 42.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
409 ATOM 405 HA2 GLY 26 37.840 24.960 43.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
410 ATOM 406 C GLY 26 36.890 26.550 42.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
411 ATOM 407 O GLY 26 36.260 26.290 41.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
412 ATOM 408 N ASN 27 36.550 27.580 43.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
413 ATOM 409 H ASN 27 37.070 27.980 43.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
414 ATOM 410 CA ASN 27 35.370 28.360 42.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
415 ATOM 411 HA ASN 27 34.560 27.690 42.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
416 ATOM 412 CB ASN 27 34.900 29.180 44.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
417 ATOM 413 HB1 ASN 27 35.750 29.760 44.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
418 ATOM 414 HB2 ASN 27 34.130 29.870 43.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
419 ATOM 415 CG ASN 27 34.310 28.320 45.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
420 ATOM 416 OD1 ASN 27 33.160 27.890 45.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
421 ATOM 417 ND2 ASN 27 35.050 28.130 46.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
422 ATOM 418 1HD2 ASN 27 36.030 28.360 46.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
423 ATOM 419 2HD2 ASN 27 34.660 27.770 47.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
424 ATOM 420 C ASN 27 35.690 29.320 41.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
425 ATOM 421 O ASN 27 34.770 29.580 40.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
426 ATOM 422 N TRP 28 36.950 29.740 41.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
427 ATOM 423 H TRP 28 37.700 29.460 42.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
428 ATOM 424 CA TRP 28 37.400 30.600 40.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
429 ATOM 425 HA TRP 28 36.680 31.400 40.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
430 ATOM 426 CB TRP 28 38.700 31.250 41.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
431 ATOM 427 HB1 TRP 28 39.480 30.490 41.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
432 ATOM 428 HB2 TRP 28 39.010 31.960 40.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
433 ATOM 429 CG TRP 28 38.510 32.040 42.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
434 ATOM 430 CD1 TRP 28 38.700 31.580 43.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
435 ATOM 431 HD1 TRP 28 39.030 30.580 43.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
436 ATOM 432 CD2 TRP 28 38.210 33.460 42.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
437 ATOM 433 NE1 TRP 28 38.450 32.640 44.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
438 ATOM 434 HE1 TRP 28 38.610 32.670 45.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
439 ATOM 435 CE2 TRP 28 38.130 33.820 43.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
440 ATOM 436 CE3 TRP 28 38.060 34.500 41.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
441 ATOM 437 HE3 TRP 28 37.950 34.240 40.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
442 ATOM 438 CZ2 TRP 28 38.040 35.140 44.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
443 ATOM 439 HZ2 TRP 28 38.120 35.390 45.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
444 ATOM 440 CZ3 TRP 28 38.000 35.820 41.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
445 ATOM 441 HZ3 TRP 28 37.990 36.620 41.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
446 ATOM 442 CH2 TRP 28 37.980 36.160 43.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
447 ATOM 443 HH2 TRP 28 37.940 37.180 43.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
448 ATOM 444 C TRP 28 37.590 29.860 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
449 ATOM 445 O TRP 28 37.180 30.320 38.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
450 ATOM 446 N VAL 29 38.100 28.640 39.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
451 ATOM 447 H VAL 29 38.330 28.430 40.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
452 ATOM 448 CA VAL 29 38.300 27.700 38.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
453 ATOM 449 HA VAL 29 38.850 28.300 37.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
454 ATOM 450 CB VAL 29 39.280 26.600 38.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
455 ATOM 451 HB VAL 29 38.880 25.940 39.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
456 ATOM 452 CG1 VAL 29 39.710 25.820 37.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
457 ATOM 453 1HG1 VAL 29 40.420 25.020 37.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
458 ATOM 454 2HG1 VAL 29 38.780 25.360 37.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
459 ATOM 455 3HG1 VAL 29 40.140 26.420 36.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
460 ATOM 456 CG2 VAL 29 40.560 27.120 39.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
461 ATOM 457 1HG2 VAL 29 41.090 26.250 39.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
462 ATOM 458 2HG2 VAL 29 41.160 27.520 38.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
463 ATOM 459 3HG2 VAL 29 40.560 27.850 40.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
464 ATOM 460 C VAL 29 36.960 27.220 37.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
465 ATOM 461 O VAL 29 36.840 27.160 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
466 ATOM 462 N CYS 30 35.940 27.070 38.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
467 ATOM 463 H CYS 30 36.130 26.920 39.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
468 ATOM 464 CA CYS 30 34.590 26.790 38.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
469 ATOM 465 HA CYS 30 34.690 26.020 37.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
470 ATOM 466 CB CYS 30 33.660 26.450 39.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
471 ATOM 467 HB1 CYS 30 34.170 25.590 39.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
472 ATOM 468 HB2 CYS 30 33.610 27.270 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
473 ATOM 469 SG CYS 30 31.990 25.850 39.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
474 ATOM 470 C CYS 30 34.010 28.000 37.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
475 ATOM 471 O CYS 30 33.340 27.790 36.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
476 ATOM 472 N ALA 31 34.080 29.190 38.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
477 ATOM 473 H ALA 31 34.630 29.360 38.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
478 ATOM 474 CA ALA 31 33.530 30.410 37.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
479 ATOM 475 HA ALA 31 32.460 30.300 37.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
480 ATOM 476 CB ALA 31 33.640 31.490 38.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
481 ATOM 477 HB1 ALA 31 33.160 32.450 38.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
482 ATOM 478 HB2 ALA 31 33.220 31.140 39.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
483 ATOM 479 HB3 ALA 31 34.660 31.820 38.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
484 ATOM 480 C ALA 31 34.270 30.850 36.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
485 ATOM 481 O ALA 31 33.670 31.630 35.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
486 ATOM 482 N ALA 32 35.490 30.410 36.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
487 ATOM 483 H ALA 32 36.130 30.120 36.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
488 ATOM 484 CA ALA 32 36.160 30.840 34.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
489 ATOM 485 HA ALA 32 35.710 31.800 34.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
490 ATOM 486 CB ALA 32 37.680 30.890 34.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
491 ATOM 487 HB1 ALA 32 38.170 31.110 33.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
492 ATOM 488 HB2 ALA 32 38.060 31.710 35.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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493 ATOM 489 HB3 ALA 32 38.000 29.910 35.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
494 ATOM 490 C ALA 32 35.840 29.840 33.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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495 ATOM 491 O ALA 32 35.800 30.190 32.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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496 ATOM 492 N LYS 33 35.460 28.610 34.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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497 ATOM 493 H LYS 33 35.400 28.590 35.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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498 ATOM 494 CA LYS 33 35.010 27.520 33.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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499 ATOM 495 HA LYS 33 35.640 27.590 32.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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500 ATOM 496 CB LYS 33 35.000 26.160 33.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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501 ATOM 497 HB1 LYS 33 36.010 25.900 34.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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502 ATOM 498 HB2 LYS 33 34.410 26.490 34.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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503 ATOM 499 CG LYS 33 34.320 24.970 33.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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504 ATOM 500 HG1 LYS 33 34.630 24.110 33.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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505 ATOM 501 HG2 LYS 33 33.230 25.040 33.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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506 ATOM 502 CD LYS 33 34.760 24.720 31.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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507 ATOM 503 HD1 LYS 33 34.430 25.540 31.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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508 ATOM 504 HD2 LYS 33 35.850 24.610 31.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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509 ATOM 505 CE LYS 33 34.220 23.400 31.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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510 ATOM 506 HE1 LYS 33 34.680 22.470 31.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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511 ATOM 507 HE2 LYS 33 33.170 23.410 31.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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512 ATOM 508 NZ LYS 33 34.380 23.370 29.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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513 ATOM 509 HZ1 LYS 33 33.770 22.610 29.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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514 ATOM 510 HZ2 LYS 33 34.070 24.230 29.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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515 ATOM 511 HZ3 LYS 33 35.360 23.280 29.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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516 ATOM 512 C LYS 33 33.640 27.920 32.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
517 ATOM 513 O LYS 33 33.520 27.990 31.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
518 ATOM 514 N PHE 34 32.640 28.100 33.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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519 ATOM 515 H PHE 34 32.890 28.090 34.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
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520 ATOM 516 CA PHE 34 31.240 28.160 33.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
521 ATOM 517 HA PHE 34 31.160 27.460 32.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
522 ATOM 518 CB PHE 34 30.450 27.780 34.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
523 ATOM 519 HB1 PHE 34 30.690 28.370 35.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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524 ATOM 520 HB2 PHE 34 29.390 28.020 34.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
525 ATOM 521 CG PHE 34 30.540 26.290 34.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
526 ATOM 522 CD1 PHE 34 30.080 25.430 33.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
527 ATOM 523 HD1 PHE 34 29.750 25.810 32.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
528 ATOM 524 CD2 PHE 34 30.870 25.760 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
529 ATOM 525 HD2 PHE 34 31.120 26.490 36.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
530 ATOM 526 CE1 PHE 34 30.160 24.060 33.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
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531 ATOM 527 HE1 PHE 34 29.760 23.400 33.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
532 ATOM 528 CE2 PHE 34 30.950 24.380 36.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
533 ATOM 529 HE2 PHE 34 31.210 24.020 37.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
534 ATOM 530 CZ PHE 34 30.510 23.500 35.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
535 ATOM 531 HZ PHE 34 30.510 22.450 35.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
536 ATOM 532 C PHE 34 30.880 29.590 32.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
537 ATOM 533 O PHE 34 29.780 29.810 32.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
538 ATOM 534 N GLU 35 31.820 30.530 32.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
539 ATOM 535 H GLU 35 32.600 30.450 33.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
540 ATOM 536 CA GLU 35 31.530 31.870 32.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
541 ATOM 537 HA GLU 35 30.470 32.110 32.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
542 ATOM 538 CB GLU 35 32.210 32.890 33.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
543 ATOM 539 HB1 GLU 35 33.140 32.490 33.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
544 ATOM 540 HB2 GLU 35 32.450 33.840 32.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
545 ATOM 541 CG GLU 35 31.370 33.380 34.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
546 ATOM 542 HG1 GLU 35 31.090 32.530 34.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
547 ATOM 543 HG2 GLU 35 31.990 33.960 35.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
548 ATOM 544 CD GLU 35 30.100 34.170 34.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
549 ATOM 545 OE1 GLU 35 29.780 34.310 32.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
550 ATOM 546 OE2 GLU 35 29.430 34.630 35.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
551 ATOM 547 C GLU 35 32.150 31.970 30.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
552 ATOM 548 O GLU 35 31.580 32.510 29.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
553 ATOM 549 N SER 36 33.360 31.440 30.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
554 ATOM 550 H SER 36 33.880 30.980 31.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
555 ATOM 551 CA SER 36 34.090 31.750 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
556 ATOM 552 HA SER 36 33.510 32.370 28.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
557 ATOM 553 CB SER 36 35.380 32.550 29.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
558 ATOM 554 HB1 SER 36 35.750 32.800 28.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
559 ATOM 555 HB2 SER 36 35.240 33.520 30.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
560 ATOM 556 OG SER 36 36.400 31.870 30.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
561 ATOM 557 HG SER 36 36.360 32.020 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
562 ATOM 558 C SER 36 34.490 30.600 28.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
563 ATOM 559 O SER 36 34.590 30.760 27.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
564 ATOM 560 N ASN 37 34.810 29.500 29.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
565 ATOM 561 H ASN 37 34.620 29.430 30.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
566 ATOM 562 CA ASN 37 35.350 28.270 28.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
567 ATOM 563 HA ASN 37 35.030 27.550 29.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
568 ATOM 564 CB ASN 37 34.760 27.790 27.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
569 ATOM 565 HB1 ASN 37 33.700 28.020 27.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
570 ATOM 566 HB2 ASN 37 35.230 28.280 26.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
571 ATOM 567 CG ASN 37 34.960 26.290 27.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
572 ATOM 568 OD1 ASN 37 34.740 25.560 28.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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610 ATOM 606 C ASN 39 39.220 33.310 27.470 1.00 0.00
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612 ATOM 608 N THR 40 40.320 33.950 27.070 1.00 0.00
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613 ATOM 609 H THR 40 40.910 33.380 26.490 1.00 0.00
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614 ATOM 610 CA THR 40 40.740 35.280 27.470 1.00 0.00
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618 ATOM 614 OG1 THR 40 42.810 35.060 26.120 1.00 0.00
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621 ATOM 617 1HG2 THR 40 43.910 34.460 28.640 1.00 0.00
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622 ATOM 618 2HG2 THR 40 42.580 34.750 29.520 1.00 0.00
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624 ATOM 620 C THR 40 39.990 36.260 26.580 1.00 0.00
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625 ATOM 621 O THR 40 39.490 37.290 27.050 1.00 0.00
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626 ATOM 622 N GLN 41 39.870 35.820 25.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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627 ATOM 623 H GLN 41 40.470 35.040 25.100 1.00 0.00
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628 ATOM 624 CA GLN 41 39.310 36.600 24.240 1.00 0.00
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630 ATOM 626 CB GLN 41 39.820 35.940 22.960 1.00 0.00
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631 ATOM 627 HB1 GLN 41 39.520 34.900 22.890 1.00 0.00
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632 ATOM 628 HB2 GLN 41 39.390 36.480 22.110 1.00 0.00
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633 ATOM 629 CG GLN 41 41.310 36.160 22.690 1.00 0.00
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634 ATOM 630 HG1 GLN 41 41.970 35.900 23.520 1.00 0.00
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635 ATOM 631 HG2 GLN 41 41.590 35.580 21.810 1.00 0.00
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636 ATOM 632 CD GLN 41 41.650 37.560 22.190 1.00 0.00
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637 ATOM 633 OE1 GLN 41 41.560 37.750 20.980 1.00 0.00
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638 ATOM 634 NE2 GLN 41 42.080 38.510 23.030 1.00 0.00
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639 ATOM 635 1HE2 GLN 41 42.080 38.430 24.040 1.00 0.00
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640 ATOM 636 2HE2 GLN 41 42.260 39.430 22.670 1.00 0.00
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641 ATOM 637 C GLN 41 37.790 36.700 24.300 1.00 0.00
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642 ATOM 638 O GLN 41 37.270 37.050 23.240 1.00 0.00
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643 ATOM 639 N ALA 42 37.070 36.160 25.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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644 ATOM 640 H ALA 42 37.580 35.750 26.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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645 ATOM 641 CA ALA 42 35.640 35.930 25.220 1.00 0.00
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646 ATOM 642 HA ALA 42 35.340 35.450 24.290 1.00 0.00
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647 ATOM 643 CB ALA 42 35.350 34.980 26.390 1.00 0.00
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diff changeset
648 ATOM 644 HB1 ALA 42 34.290 34.850 26.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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649 ATOM 645 HB2 ALA 42 35.860 34.050 26.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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650 ATOM 646 HB3 ALA 42 35.840 35.360 27.280 1.00 0.00
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chemteam
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diff changeset
651 ATOM 647 C ALA 42 34.820 37.190 25.480 1.00 0.00
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diff changeset
652 ATOM 648 O ALA 42 35.140 37.970 26.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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653 ATOM 649 N THR 43 33.830 37.440 24.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
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654 ATOM 650 H THR 43 33.610 36.750 23.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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681 ATOM 677 N ARG 45 27.680 40.190 24.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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689 ATOM 685 HG1 ARG 45 25.430 42.880 21.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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692 ATOM 688 HD1 ARG 45 25.750 44.960 23.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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697 ATOM 693 NH1 ARG 45 25.020 46.140 21.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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700 ATOM 696 NH2 ARG 45 26.980 46.470 19.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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701 ATOM 697 1HH2 ARG 45 27.930 46.140 19.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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703 ATOM 699 C ARG 45 25.570 41.250 25.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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704 ATOM 700 O ARG 45 24.930 40.230 24.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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705 ATOM 701 N ASN 46 25.160 42.240 25.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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706 ATOM 702 H ASN 46 25.770 43.040 25.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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708 ATOM 704 HA ASN 46 23.410 41.540 26.730 1.00 0.00
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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712 ATOM 708 CG ASN 46 25.600 42.110 28.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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714 ATOM 710 ND2 ASN 46 25.370 41.100 29.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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715 ATOM 711 1HD2 ASN 46 24.410 40.830 29.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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717 ATOM 713 C ASN 46 22.960 43.470 26.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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718 ATOM 714 O ASN 46 23.360 44.330 25.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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719 ATOM 715 N THR 47 21.700 43.350 26.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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720 ATOM 716 H THR 47 21.530 42.630 27.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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721 ATOM 717 CA THR 47 20.440 43.930 26.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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722 ATOM 718 HA THR 47 20.440 43.800 25.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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724 ATOM 720 HB THR 47 18.400 43.790 26.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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725 ATOM 721 OG1 THR 47 19.500 42.580 27.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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726 ATOM 722 HG1 THR 47 18.610 42.450 28.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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727 ATOM 723 CG2 THR 47 18.920 41.890 25.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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728 ATOM 724 1HG2 THR 47 18.120 41.280 26.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
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729 ATOM 725 2HG2 THR 47 18.700 42.260 24.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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730 ATOM 726 3HG2 THR 47 19.830 41.300 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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731 ATOM 727 C THR 47 20.410 45.440 26.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
732 ATOM 728 O THR 47 20.190 46.270 25.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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733 ATOM 729 N ASP 48 20.890 45.840 27.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
734 ATOM 730 H ASP 48 21.080 45.160 28.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
735 ATOM 731 CA ASP 48 21.160 47.180 27.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
736 ATOM 732 HA ASP 48 20.210 47.710 27.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
737 ATOM 733 CB ASP 48 21.490 47.170 29.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
738 ATOM 734 HB1 ASP 48 21.330 48.200 29.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
739 ATOM 735 HB2 ASP 48 20.700 46.610 29.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
740 ATOM 736 CG ASP 48 22.810 46.610 29.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
741 ATOM 737 OD1 ASP 48 23.740 46.260 29.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
742 ATOM 738 OD2 ASP 48 23.000 46.670 31.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
743 ATOM 739 C ASP 48 22.220 48.000 27.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
744 ATOM 740 O ASP 48 22.240 49.230 27.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
745 ATOM 741 N GLY 49 23.020 47.400 26.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
746 ATOM 742 H GLY 49 22.990 46.390 26.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
747 ATOM 743 CA GLY 49 24.080 48.010 25.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
748 ATOM 744 HA1 GLY 49 23.890 47.870 24.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
749 ATOM 745 HA2 GLY 49 24.270 49.080 25.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
750 ATOM 746 C GLY 49 25.460 47.480 25.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
751 ATOM 747 O GLY 49 26.410 47.540 25.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
752 ATOM 748 N SER 50 25.620 46.890 27.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
753 ATOM 749 H SER 50 24.860 46.930 27.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
754 ATOM 750 CA SER 50 26.960 46.640 27.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
755 ATOM 751 HA SER 50 27.670 47.440 27.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
756 ATOM 752 CB SER 50 26.970 46.520 29.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
757 ATOM 753 HB1 SER 50 27.910 46.700 29.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
758 ATOM 754 HB2 SER 50 26.440 47.440 29.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
759 ATOM 755 OG SER 50 26.260 45.400 29.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
760 ATOM 756 HG SER 50 25.340 45.590 29.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
761 ATOM 757 C SER 50 27.540 45.360 27.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
762 ATOM 758 O SER 50 26.970 44.690 26.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
763 ATOM 759 N THR 51 28.760 44.960 27.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
764 ATOM 760 H THR 51 29.240 45.620 28.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
765 ATOM 761 CA THR 51 29.470 43.750 27.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
766 ATOM 762 HA THR 51 28.780 43.010 26.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
767 ATOM 763 CB THR 51 30.310 44.130 25.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
768 ATOM 764 HB THR 51 31.020 44.930 26.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
769 ATOM 765 OG1 THR 51 29.400 44.530 24.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
770 ATOM 766 HG1 THR 51 28.570 44.700 25.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
771 ATOM 767 CG2 THR 51 30.980 42.940 25.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
772 ATOM 768 1HG2 THR 51 31.610 43.240 24.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
773 ATOM 769 2HG2 THR 51 31.630 42.460 25.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
774 ATOM 770 3HG2 THR 51 30.330 42.170 24.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
775 ATOM 771 C THR 51 30.280 43.150 28.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
776 ATOM 772 O THR 51 30.870 43.800 29.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
777 ATOM 773 N ASP 52 30.170 41.830 28.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
778 ATOM 774 H ASP 52 29.620 41.300 27.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
779 ATOM 775 CA ASP 52 30.890 41.030 29.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
780 ATOM 776 HA ASP 52 30.960 41.600 30.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
781 ATOM 777 CB ASP 52 30.060 39.780 29.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
782 ATOM 778 HB1 ASP 52 29.820 39.370 28.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
783 ATOM 779 HB2 ASP 52 30.720 39.110 30.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
784 ATOM 780 CG ASP 52 28.750 39.980 30.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
785 ATOM 781 OD1 ASP 52 28.580 40.770 31.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
786 ATOM 782 OD2 ASP 52 27.870 39.180 30.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
787 ATOM 783 C ASP 52 32.240 40.620 28.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
788 ATOM 784 O ASP 52 32.190 40.020 27.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
789 ATOM 785 N TYR 53 33.350 41.150 29.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
790 ATOM 786 H TYR 53 33.380 41.580 30.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
791 ATOM 787 CA TYR 53 34.650 40.880 28.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
792 ATOM 788 HA TYR 53 34.460 40.360 27.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
793 ATOM 789 CB TYR 53 35.340 42.240 28.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
794 ATOM 790 HB1 TYR 53 35.140 42.690 29.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
795 ATOM 791 HB2 TYR 53 36.430 42.170 28.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
796 ATOM 792 CG TYR 53 34.960 43.220 27.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
797 ATOM 793 CD1 TYR 53 35.750 43.360 26.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
798 ATOM 794 HD1 TYR 53 36.650 42.780 26.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
799 ATOM 795 CD2 TYR 53 33.830 44.020 27.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
800 ATOM 796 HD2 TYR 53 33.370 44.020 28.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
801 ATOM 797 CE1 TYR 53 35.310 44.190 25.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
802 ATOM 798 HE1 TYR 53 35.830 44.250 24.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
803 ATOM 799 CE2 TYR 53 33.570 44.990 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
804 ATOM 800 HE2 TYR 53 32.800 45.720 26.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
805 ATOM 801 CZ TYR 53 34.230 45.060 25.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
806 ATOM 802 OH TYR 53 34.050 45.990 24.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
807 ATOM 803 HH TYR 53 33.290 46.540 24.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
808 ATOM 804 C TYR 53 35.550 40.000 29.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
809 ATOM 805 O TYR 53 35.740 40.220 30.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
810 ATOM 806 N GLY 54 36.060 38.950 28.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
811 ATOM 807 H GLY 54 35.860 38.840 28.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
812 ATOM 808 CA GLY 54 37.200 38.210 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
813 ATOM 809 HA1 GLY 54 37.940 38.080 28.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
814 ATOM 810 HA2 GLY 54 37.730 38.780 30.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
815 ATOM 811 C GLY 54 36.930 36.830 30.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
816 ATOM 812 O GLY 54 35.830 36.310 29.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
817 ATOM 813 N ILE 55 37.930 36.220 30.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
818 ATOM 814 H ILE 55 38.810 36.690 30.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
819 ATOM 815 CA ILE 55 37.950 34.900 31.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
820 ATOM 816 HA ILE 55 37.570 34.290 30.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
821 ATOM 817 CB ILE 55 39.370 34.390 31.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
822 ATOM 818 HB ILE 55 39.950 34.500 30.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
823 ATOM 819 CG1 ILE 55 39.330 32.880 31.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
824 ATOM 820 1HG1 ILE 55 39.000 32.770 32.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
825 ATOM 821 2HG1 ILE 55 38.760 32.380 31.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
826 ATOM 822 CG2 ILE 55 40.120 35.130 32.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
827 ATOM 823 1HG2 ILE 55 41.180 35.010 32.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
828 ATOM 824 2HG2 ILE 55 40.070 36.220 32.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
829 ATOM 825 3HG2 ILE 55 39.800 34.680 33.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
830 ATOM 826 CD ILE 55 40.730 32.270 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
831 ATOM 827 HD1 ILE 55 40.750 31.180 31.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
832 ATOM 828 HD2 ILE 55 41.200 32.600 30.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
833 ATOM 829 HD3 ILE 55 41.420 32.610 32.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
834 ATOM 830 C ILE 55 36.960 34.720 32.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
835 ATOM 831 O ILE 55 36.550 33.600 32.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
836 ATOM 832 N LEU 56 36.550 35.800 33.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
837 ATOM 833 H LEU 56 36.920 36.690 32.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
838 ATOM 834 CA LEU 56 35.470 35.760 34.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
839 ATOM 835 HA LEU 56 35.040 34.780 34.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
840 ATOM 836 CB LEU 56 35.940 36.340 35.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
841 ATOM 837 HB1 LEU 56 36.370 37.320 35.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
842 ATOM 838 HB2 LEU 56 35.180 36.490 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
843 ATOM 839 CG LEU 56 37.170 35.660 36.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
844 ATOM 840 HG LEU 56 37.930 35.640 35.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
845 ATOM 841 CD1 LEU 56 37.790 36.500 37.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
846 ATOM 842 1HD1 LEU 56 38.660 36.000 37.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
847 ATOM 843 2HD1 LEU 56 38.050 37.520 36.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
848 ATOM 844 3HD1 LEU 56 37.130 36.790 37.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
849 ATOM 845 CD2 LEU 56 36.920 34.230 36.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
850 ATOM 846 1HD2 LEU 56 37.840 33.750 36.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
851 ATOM 847 2HD2 LEU 56 36.170 34.260 37.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
852 ATOM 848 3HD2 LEU 56 36.530 33.620 35.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
853 ATOM 849 C LEU 56 34.280 36.600 33.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
854 ATOM 850 O LEU 56 33.280 36.630 34.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
855 ATOM 851 N GLN 57 34.240 37.190 32.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
856 ATOM 852 H GLN 57 35.100 37.200 31.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
857 ATOM 853 CA GLN 57 33.070 37.800 31.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
858 ATOM 854 HA GLN 57 33.440 38.350 31.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
859 ATOM 855 CB GLN 57 31.970 36.790 31.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
860 ATOM 856 HB1 GLN 57 31.650 36.200 32.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
861 ATOM 857 HB2 GLN 57 31.010 37.230 31.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
862 ATOM 858 CG GLN 57 32.450 35.800 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
863 ATOM 859 HG1 GLN 57 33.460 35.380 30.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
864 ATOM 860 HG2 GLN 57 31.730 34.990 30.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
865 ATOM 861 CD GLN 57 32.320 36.360 29.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
866 ATOM 862 OE1 GLN 57 31.310 36.250 28.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
867 ATOM 863 NE2 GLN 57 33.390 36.920 28.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
868 ATOM 864 1HE2 GLN 57 34.240 36.920 29.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
869 ATOM 865 2HE2 GLN 57 33.330 37.330 27.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
870 ATOM 866 C GLN 57 32.600 39.050 32.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
871 ATOM 867 O GLN 57 31.410 39.210 32.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
872 ATOM 868 N ILE 58 33.510 39.960 32.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
873 ATOM 869 H ILE 58 34.450 39.770 32.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
874 ATOM 870 CA ILE 58 33.290 41.150 33.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
875 ATOM 871 HA ILE 58 32.530 40.950 34.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
876 ATOM 872 CB ILE 58 34.630 41.590 34.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
877 ATOM 873 HB ILE 58 35.340 41.820 33.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
878 ATOM 874 CG1 ILE 58 35.230 40.450 35.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
879 ATOM 875 1HG1 ILE 58 34.480 40.270 35.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
880 ATOM 876 2HG1 ILE 58 35.340 39.460 34.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
881 ATOM 877 CG2 ILE 58 34.480 42.790 35.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
882 ATOM 878 1HG2 ILE 58 35.460 43.140 35.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
883 ATOM 879 2HG2 ILE 58 34.020 43.680 34.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
884 ATOM 880 3HG2 ILE 58 33.910 42.580 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
885 ATOM 881 CD ILE 58 36.640 40.790 35.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
886 ATOM 882 HD1 ILE 58 37.180 41.130 34.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
887 ATOM 883 HD2 ILE 58 36.790 41.550 36.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
888 ATOM 884 HD3 ILE 58 37.130 39.870 35.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
889 ATOM 885 C ILE 58 32.800 42.330 32.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
890 ATOM 886 O ILE 58 33.310 42.630 31.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
891 ATOM 887 N ASN 59 31.740 42.970 33.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
892 ATOM 888 H ASN 59 31.420 42.810 34.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
893 ATOM 889 CA ASN 59 30.850 43.780 32.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
894 ATOM 890 HA ASN 59 30.860 43.360 31.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
895 ATOM 891 CB ASN 59 29.430 43.520 33.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
896 ATOM 892 HB1 ASN 59 29.110 42.480 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
897 ATOM 893 HB2 ASN 59 29.320 43.730 34.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
898 ATOM 894 CG ASN 59 28.380 44.250 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
899 ATOM 895 OD1 ASN 59 28.050 45.410 32.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
900 ATOM 896 ND2 ASN 59 27.860 43.610 31.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
901 ATOM 897 1HD2 ASN 59 28.140 42.660 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
902 ATOM 898 2HD2 ASN 59 27.200 44.120 30.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
903 ATOM 899 C ASN 59 31.290 45.240 32.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
904 ATOM 900 O ASN 59 31.680 45.840 33.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
905 ATOM 901 N SER 60 30.980 45.770 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
906 ATOM 902 H SER 60 30.460 45.270 30.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
907 ATOM 903 CA SER 60 31.410 47.110 31.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
908 ATOM 904 HA SER 60 32.410 47.370 31.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
909 ATOM 905 CB SER 60 31.460 47.120 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
910 ATOM 906 HB1 SER 60 31.890 48.050 29.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
911 ATOM 907 HB2 SER 60 32.070 46.290 29.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
912 ATOM 908 OG SER 60 30.210 46.980 28.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
913 ATOM 909 HG SER 60 29.960 47.880 28.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
914 ATOM 910 C SER 60 30.580 48.270 31.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
915 ATOM 911 O SER 60 30.970 49.430 31.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
916 ATOM 912 N ARG 61 29.430 47.920 32.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
917 ATOM 913 H ARG 61 29.150 46.950 32.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
918 ATOM 914 CA ARG 61 28.490 48.940 32.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
919 ATOM 915 HA ARG 61 28.510 49.870 32.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
920 ATOM 916 CB ARG 61 27.080 48.370 32.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
921 ATOM 917 HB1 ARG 61 26.700 47.990 31.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
922 ATOM 918 HB2 ARG 61 27.190 47.510 33.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
923 ATOM 919 CG ARG 61 26.020 49.300 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
924 ATOM 920 HG1 ARG 61 26.130 49.500 34.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
925 ATOM 921 HG2 ARG 61 26.100 50.250 32.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
926 ATOM 922 CD ARG 61 24.630 48.670 33.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
927 ATOM 923 HD1 ARG 61 24.480 48.560 32.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
928 ATOM 924 HD2 ARG 61 24.640 47.710 33.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
929 ATOM 925 NE ARG 61 23.590 49.570 33.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
930 ATOM 926 HE ARG 61 23.830 50.330 34.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
931 ATOM 927 CZ ARG 61 22.290 49.470 33.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
932 ATOM 928 NH1 ARG 61 21.720 48.490 32.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
933 ATOM 929 1HH1 ARG 61 22.280 47.800 32.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
934 ATOM 930 2HH1 ARG 61 20.810 48.650 32.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
935 ATOM 931 NH2 ARG 61 21.450 50.450 33.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
936 ATOM 932 1HH2 ARG 61 21.820 51.280 34.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
937 ATOM 933 2HH2 ARG 61 20.470 50.440 33.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
938 ATOM 934 C ARG 61 28.930 49.380 33.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
939 ATOM 935 O ARG 61 28.650 50.500 34.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
940 ATOM 936 N TRP 62 29.580 48.510 34.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
941 ATOM 937 H TRP 62 29.720 47.600 34.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
942 ATOM 938 CA TRP 62 30.060 48.700 36.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
943 ATOM 939 HA TRP 62 29.830 49.710 36.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
944 ATOM 940 CB TRP 62 29.450 47.640 37.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
945 ATOM 941 HB1 TRP 62 30.040 46.740 36.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
946 ATOM 942 HB2 TRP 62 29.600 48.090 38.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
947 ATOM 943 CG TRP 62 27.990 47.360 36.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
948 ATOM 944 CD1 TRP 62 27.440 46.240 36.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
949 ATOM 945 HD1 TRP 62 28.030 45.450 35.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
950 ATOM 946 CD2 TRP 62 26.870 48.160 37.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
951 ATOM 947 NE1 TRP 62 26.060 46.360 36.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
952 ATOM 948 HE1 TRP 62 25.440 45.660 36.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
953 ATOM 949 CE2 TRP 62 25.640 47.540 37.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
954 ATOM 950 CE3 TRP 62 26.770 49.420 37.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
955 ATOM 951 HE3 TRP 62 27.700 49.900 38.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
956 ATOM 952 CZ2 TRP 62 24.370 48.080 37.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
957 ATOM 953 HZ2 TRP 62 23.440 47.580 37.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
958 ATOM 954 CZ3 TRP 62 25.520 49.900 38.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
959 ATOM 955 HZ3 TRP 62 25.360 50.850 38.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
960 ATOM 956 CH2 TRP 62 24.340 49.290 37.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
961 ATOM 957 HH2 TRP 62 23.400 49.670 38.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
962 ATOM 958 C TRP 62 31.570 48.700 36.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
963 ATOM 959 O TRP 62 32.120 49.550 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
964 ATOM 960 N TRP 63 32.260 47.770 35.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
965 ATOM 961 H TRP 63 31.770 47.000 35.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
966 ATOM 962 CA TRP 63 33.580 47.500 36.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
967 ATOM 963 HA TRP 63 33.750 47.850 37.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
968 ATOM 964 CB TRP 63 33.740 45.980 36.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
969 ATOM 965 HB1 TRP 63 33.650 45.550 35.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
970 ATOM 966 HB2 TRP 63 34.760 45.830 36.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
971 ATOM 967 CG TRP 63 32.830 45.400 37.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
972 ATOM 968 CD1 TRP 63 31.960 44.390 36.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
973 ATOM 969 HD1 TRP 63 31.820 44.050 35.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
974 ATOM 970 CD2 TRP 63 32.700 45.700 38.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
975 ATOM 971 NE1 TRP 63 31.150 44.240 38.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
976 ATOM 972 HE1 TRP 63 30.460 43.500 38.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
977 ATOM 973 CE2 TRP 63 31.540 45.030 39.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
978 ATOM 974 CE3 TRP 63 33.370 46.520 39.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
979 ATOM 975 HE3 TRP 63 34.350 46.890 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
980 ATOM 976 CZ2 TRP 63 30.940 45.300 40.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
981 ATOM 977 HZ2 TRP 63 30.060 44.810 40.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
982 ATOM 978 CZ3 TRP 63 32.830 46.740 40.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
983 ATOM 979 HZ3 TRP 63 33.350 47.390 41.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
984 ATOM 980 CH2 TRP 63 31.610 46.170 41.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
985 ATOM 981 HH2 TRP 63 31.210 46.320 42.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
986 ATOM 982 C TRP 63 34.690 48.040 35.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
987 ATOM 983 O TRP 63 35.690 48.490 35.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
988 ATOM 984 N CYS 64 34.530 48.110 33.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
989 ATOM 985 H CYS 64 33.650 47.810 33.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
990 ATOM 986 CA CYS 64 35.590 48.560 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
991 ATOM 987 HA CYS 64 36.330 49.160 33.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
992 ATOM 988 CB CYS 64 36.260 47.340 32.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
993 ATOM 989 HB1 CYS 64 37.060 47.640 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
994 ATOM 990 HB2 CYS 64 36.760 46.750 33.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
995 ATOM 991 SG CYS 64 35.180 46.290 31.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
996 ATOM 992 C CYS 64 34.990 49.570 32.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
997 ATOM 993 O CYS 64 33.770 49.540 31.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
998 ATOM 994 N ASN 65 35.760 50.480 31.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
999 ATOM 995 H ASN 65 36.760 50.430 31.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1000 ATOM 996 CA ASN 65 35.220 51.290 30.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1001 ATOM 997 HA ASN 65 34.150 51.500 30.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1002 ATOM 998 CB ASN 65 36.050 52.580 30.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1003 ATOM 999 HB1 ASN 65 36.120 53.100 31.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1004 ATOM 1000 HB2 ASN 65 37.070 52.300 30.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1005 ATOM 1001 CG ASN 65 35.540 53.650 29.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1006 ATOM 1002 OD1 ASN 65 34.440 54.170 29.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1007 ATOM 1003 ND2 ASN 65 36.360 54.070 28.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1008 ATOM 1004 1HD2 ASN 65 37.300 53.710 28.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1009 ATOM 1005 2HD2 ASN 65 36.230 54.780 27.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1010 ATOM 1006 C ASN 65 35.640 50.540 29.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1011 ATOM 1007 O ASN 65 36.820 50.210 29.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1012 ATOM 1008 N ASP 66 34.680 50.320 28.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1013 ATOM 1009 H ASP 66 33.730 50.420 28.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1014 ATOM 1010 CA ASP 66 34.850 50.050 26.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1015 ATOM 1011 HA ASP 66 35.880 49.730 26.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1016 ATOM 1012 CB ASP 66 33.950 48.910 26.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1017 ATOM 1013 HB1 ASP 66 34.480 48.430 25.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1018 ATOM 1014 HB2 ASP 66 33.950 48.180 27.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1019 ATOM 1015 CG ASP 66 32.510 49.160 25.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1020 ATOM 1016 OD1 ASP 66 31.710 49.970 26.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1021 ATOM 1017 OD2 ASP 66 32.160 48.290 25.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1022 ATOM 1018 C ASP 66 34.690 51.270 25.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1023 ATOM 1019 O ASP 66 35.330 51.350 24.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1024 ATOM 1020 N GLY 67 33.970 52.270 26.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1025 ATOM 1021 H GLY 67 33.510 52.170 27.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1026 ATOM 1022 CA GLY 67 33.740 53.600 25.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1027 ATOM 1023 HA1 GLY 67 33.830 54.300 26.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1028 ATOM 1024 HA2 GLY 67 34.510 53.840 25.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1029 ATOM 1025 C GLY 67 32.460 53.880 25.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1030 ATOM 1026 O GLY 67 32.150 55.040 24.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1031 ATOM 1027 N ARG 68 31.610 52.860 24.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1032 ATOM 1028 H ARG 68 31.960 51.960 25.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1033 ATOM 1029 CA ARG 68 30.350 52.840 24.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1034 ATOM 1030 HA ARG 68 29.960 53.850 24.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1035 ATOM 1031 CB ARG 68 30.510 52.240 22.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1036 ATOM 1032 HB1 ARG 68 29.580 52.260 22.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1037 ATOM 1033 HB2 ARG 68 31.270 52.920 22.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1038 ATOM 1034 CG ARG 68 31.220 50.890 22.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1039 ATOM 1035 HG1 ARG 68 32.280 51.070 22.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1040 ATOM 1036 HG2 ARG 68 31.170 50.440 23.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1041 ATOM 1037 CD ARG 68 30.740 49.870 21.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1042 ATOM 1038 HD1 ARG 68 30.750 50.210 20.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1043 ATOM 1039 HD2 ARG 68 31.610 49.210 21.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1044 ATOM 1040 NE ARG 68 29.620 49.080 22.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1045 ATOM 1041 HE ARG 68 29.860 48.310 22.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1046 ATOM 1042 CZ ARG 68 28.340 49.010 21.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1047 ATOM 1043 NH1 ARG 68 27.870 49.880 20.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1048 ATOM 1044 1HH1 ARG 68 28.520 50.510 20.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1049 ATOM 1045 2HH1 ARG 68 26.900 50.020 20.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1050 ATOM 1046 NH2 ARG 68 27.490 48.150 22.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1051 ATOM 1047 1HH2 ARG 68 27.710 47.750 23.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1052 ATOM 1048 2HH2 ARG 68 26.490 48.160 22.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1053 ATOM 1049 C ARG 68 29.150 52.270 24.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1054 ATOM 1050 O ARG 68 28.070 52.540 24.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1055 ATOM 1051 N THR 69 29.310 51.610 26.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1056 ATOM 1052 H THR 69 30.260 51.450 26.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1057 ATOM 1053 CA THR 69 28.310 51.260 27.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1058 ATOM 1054 HA THR 69 27.570 50.650 26.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
1059 ATOM 1055 CB THR 69 28.870 50.370 28.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
1060 ATOM 1056 HB THR 69 29.690 50.870 28.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
1061 ATOM 1057 OG1 THR 69 29.520 49.240 27.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
1062 ATOM 1058 HG1 THR 69 30.250 49.480 27.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
1063 ATOM 1059 CG2 THR 69 27.830 49.800 29.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
1064 ATOM 1060 1HG2 THR 69 28.230 49.060 29.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
1065 ATOM 1061 2HG2 THR 69 27.400 50.600 29.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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diff changeset
1066 ATOM 1062 3HG2 THR 69 27.000 49.310 28.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1067 ATOM 1063 C THR 69 27.750 52.520 27.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1068 ATOM 1064 O THR 69 28.490 53.050 28.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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1069 ATOM 1065 N PRO 70 26.500 52.950 27.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
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1070 ATOM 1066 CA PRO 70 25.870 54.020 28.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1071 ATOM 1067 HA PRO 70 26.520 54.900 28.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1072 ATOM 1068 CB PRO 70 24.570 54.280 27.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1073 ATOM 1069 HB1 PRO 70 23.880 54.700 28.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1074 ATOM 1070 HB2 PRO 70 24.780 55.100 26.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1075 ATOM 1071 CG PRO 70 24.210 52.970 26.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1076 ATOM 1072 HG1 PRO 70 23.710 52.260 27.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1077 ATOM 1073 HG2 PRO 70 23.570 52.930 26.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1078 ATOM 1074 CD PRO 70 25.590 52.350 26.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1079 ATOM 1075 HD1 PRO 70 25.470 51.270 26.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1080 ATOM 1076 HD2 PRO 70 25.960 52.660 25.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1081 ATOM 1077 C PRO 70 25.530 53.630 29.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1082 ATOM 1078 O PRO 70 24.900 52.580 29.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1083 ATOM 1079 N GLY 71 26.000 54.420 30.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1084 ATOM 1080 H GLY 71 26.530 55.250 30.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1085 ATOM 1081 CA GLY 71 25.820 54.240 32.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1086 ATOM 1082 HA1 GLY 71 25.430 55.160 32.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1087 ATOM 1083 HA2 GLY 71 25.090 53.440 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1088 ATOM 1084 C GLY 71 27.080 53.990 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1089 ATOM 1085 O GLY 71 26.990 53.690 34.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1090 ATOM 1086 N SER 72 28.210 54.050 32.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1091 ATOM 1087 H SER 72 28.090 54.470 31.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1092 ATOM 1088 CA SER 72 29.480 53.570 32.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1093 ATOM 1089 HA SER 72 29.370 52.520 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1094 ATOM 1090 CB SER 72 30.470 53.740 31.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1095 ATOM 1091 HB1 SER 72 29.950 53.490 30.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1096 ATOM 1092 HB2 SER 72 30.590 54.820 31.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1097 ATOM 1093 OG SER 72 31.700 53.070 31.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1098 ATOM 1094 HG SER 72 31.530 52.140 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1099 ATOM 1095 C SER 72 30.060 54.200 34.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1100 ATOM 1096 O SER 72 29.860 55.370 34.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1101 ATOM 1097 N ARG 73 30.780 53.400 34.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1102 ATOM 1098 H ARG 73 31.020 52.490 34.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1103 ATOM 1099 CA ARG 73 31.170 53.710 36.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1104 ATOM 1100 HA ARG 73 31.060 54.790 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1105 ATOM 1101 CB ARG 73 30.320 52.980 37.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1106 ATOM 1102 HB1 ARG 73 30.560 51.920 37.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1107 ATOM 1103 HB2 ARG 73 30.720 53.210 38.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1108 ATOM 1104 CG ARG 73 28.800 53.150 37.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1109 ATOM 1105 HG1 ARG 73 28.380 52.810 36.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1110 ATOM 1106 HG2 ARG 73 28.330 52.580 37.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1111 ATOM 1107 CD ARG 73 28.430 54.630 37.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1112 ATOM 1108 HD1 ARG 73 29.220 55.290 37.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1113 ATOM 1109 HD2 ARG 73 28.320 54.970 36.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1114 ATOM 1110 NE ARG 73 27.310 54.920 38.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1115 ATOM 1111 HE ARG 73 27.550 55.100 39.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1116 ATOM 1112 CZ ARG 73 26.060 55.140 37.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1117 ATOM 1113 NH1 ARG 73 25.700 54.910 36.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1118 ATOM 1114 1HH1 ARG 73 26.250 54.470 35.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1119 ATOM 1115 2HH1 ARG 73 24.780 55.110 36.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1120 ATOM 1116 NH2 ARG 73 25.230 55.830 38.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1121 ATOM 1117 1HH2 ARG 73 25.530 56.140 39.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1122 ATOM 1118 2HH2 ARG 73 24.270 55.990 38.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1123 ATOM 1119 C ARG 73 32.670 53.540 36.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1124 ATOM 1120 O ARG 73 33.390 54.380 36.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1125 ATOM 1121 N ASN 74 33.220 52.460 35.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1126 ATOM 1122 H ASN 74 32.610 51.890 35.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1127 ATOM 1123 CA ASN 74 34.610 52.050 35.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1128 ATOM 1124 HA ASN 74 34.710 51.030 35.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1129 ATOM 1125 CB ASN 74 35.380 53.000 34.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1130 ATOM 1126 HB1 ASN 74 34.810 53.050 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1131 ATOM 1127 HB2 ASN 74 35.500 54.010 35.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1132 ATOM 1128 CG ASN 74 36.740 52.470 34.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1133 ATOM 1129 OD1 ASN 74 37.110 51.340 34.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1134 ATOM 1130 ND2 ASN 74 37.450 53.130 33.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1135 ATOM 1131 1HD2 ASN 74 37.190 54.080 33.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1136 ATOM 1132 2HD2 ASN 74 38.160 52.700 32.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1137 ATOM 1133 C ASN 74 35.130 51.970 37.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1138 ATOM 1134 O ASN 74 36.030 52.720 37.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1139 ATOM 1135 N LEU 75 34.440 51.140 38.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1140 ATOM 1136 H LEU 75 33.560 50.720 37.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1141 ATOM 1137 CA LEU 75 34.810 50.900 39.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1142 ATOM 1138 HA LEU 75 34.950 51.870 39.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1143 ATOM 1139 CB LEU 75 33.630 50.170 40.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1144 ATOM 1140 HB1 LEU 75 33.450 49.280 39.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1145 ATOM 1141 HB2 LEU 75 33.820 49.940 41.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1146 ATOM 1142 CG LEU 75 32.270 50.880 40.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1147 ATOM 1143 HG LEU 75 32.080 51.220 38.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1148 ATOM 1144 CD1 LEU 75 31.050 50.000 40.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1149 ATOM 1145 1HD1 LEU 75 30.160 50.610 40.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1150 ATOM 1146 2HD1 LEU 75 30.940 49.110 39.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1151 ATOM 1147 3HD1 LEU 75 31.010 49.680 41.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1152 ATOM 1148 CD2 LEU 75 32.300 52.120 40.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1153 ATOM 1149 1HD2 LEU 75 31.270 52.460 41.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1154 ATOM 1150 2HD2 LEU 75 32.760 51.840 41.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1155 ATOM 1151 3HD2 LEU 75 33.000 52.860 40.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1156 ATOM 1152 C LEU 75 36.100 50.120 39.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1157 ATOM 1153 O LEU 75 36.680 50.330 40.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1158 ATOM 1154 N CYS 76 36.670 49.450 38.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1159 ATOM 1155 H CYS 76 36.210 49.690 37.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1160 ATOM 1156 CA CYS 76 37.990 48.850 38.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1161 ATOM 1157 HA CYS 76 38.220 48.610 39.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1162 ATOM 1158 CB CYS 76 38.020 47.540 37.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1163 ATOM 1159 HB1 CYS 76 37.780 47.630 36.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1164 ATOM 1160 HB2 CYS 76 39.030 47.140 37.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1165 ATOM 1161 SG CYS 76 37.070 46.140 38.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1166 ATOM 1162 C CYS 76 39.040 49.810 38.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1167 ATOM 1163 O CYS 76 40.210 49.610 38.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1168 ATOM 1164 N ASN 77 38.740 50.770 37.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1169 ATOM 1165 H ASN 77 37.780 50.650 37.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1170 ATOM 1166 CA ASN 77 39.480 51.870 36.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1171 ATOM 1167 HA ASN 77 38.630 52.520 36.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1172 ATOM 1168 CB ASN 77 40.300 52.620 37.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1173 ATOM 1169 HB1 ASN 77 39.720 52.610 38.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1174 ATOM 1170 HB2 ASN 77 41.190 52.010 37.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1175 ATOM 1171 CG ASN 77 40.540 54.080 37.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1176 ATOM 1172 OD1 ASN 77 39.590 54.790 37.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1177 ATOM 1173 ND2 ASN 77 41.800 54.530 37.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1178 ATOM 1174 1HD2 ASN 77 42.590 53.990 37.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1179 ATOM 1175 2HD2 ASN 77 42.020 55.480 37.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1180 ATOM 1176 C ASN 77 40.280 51.540 35.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1181 ATOM 1177 O ASN 77 41.340 52.070 35.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1182 ATOM 1178 N ILE 78 39.790 50.560 34.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1183 ATOM 1179 H ILE 78 38.850 50.230 34.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1184 ATOM 1180 CA ILE 78 40.530 49.930 33.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1185 ATOM 1181 HA ILE 78 41.490 50.400 33.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1186 ATOM 1182 CB ILE 78 40.890 48.520 34.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1187 ATOM 1183 HB ILE 78 41.240 47.980 33.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1188 ATOM 1184 CG1 ILE 78 39.750 47.610 34.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1189 ATOM 1185 1HG1 ILE 78 39.370 48.010 35.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1190 ATOM 1186 2HG1 ILE 78 38.870 47.700 33.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1191 ATOM 1187 CG2 ILE 78 42.070 48.550 35.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1192 ATOM 1188 1HG2 ILE 78 42.560 47.640 35.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1193 ATOM 1189 2HG2 ILE 78 42.760 49.270 34.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1194 ATOM 1190 3HG2 ILE 78 41.740 48.990 36.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1195 ATOM 1191 CD ILE 78 40.210 46.170 34.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1196 ATOM 1192 HD1 ILE 78 39.330 45.550 34.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1197 ATOM 1193 HD2 ILE 78 40.750 45.790 33.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1198 ATOM 1194 HD3 ILE 78 40.870 46.160 35.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1199 ATOM 1195 C ILE 78 39.770 50.090 32.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1200 ATOM 1196 O ILE 78 38.550 50.210 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1201 ATOM 1197 N PRO 79 40.510 49.890 31.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1202 ATOM 1198 CA PRO 79 39.910 49.660 29.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1203 ATOM 1199 HA PRO 79 39.070 50.330 29.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1204 ATOM 1200 CB PRO 79 41.000 50.100 28.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1205 ATOM 1201 HB1 PRO 79 41.030 49.640 27.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1206 ATOM 1202 HB2 PRO 79 40.870 51.140 28.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1207 ATOM 1203 CG PRO 79 42.370 50.040 29.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1208 ATOM 1204 HG1 PRO 79 42.940 49.130 29.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1209 ATOM 1205 HG2 PRO 79 43.000 50.900 29.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1210 ATOM 1206 CD PRO 79 41.940 50.110 31.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1211 ATOM 1207 HD1 PRO 79 42.490 49.370 31.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1212 ATOM 1208 HD2 PRO 79 42.250 51.090 31.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1213 ATOM 1209 C PRO 79 39.590 48.190 29.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1214 ATOM 1210 O PRO 79 40.350 47.270 30.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1215 ATOM 1211 N CYS 80 38.390 47.890 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1216 ATOM 1212 H CYS 80 37.870 48.720 29.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1217 ATOM 1213 CA CYS 80 37.840 46.560 29.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1218 ATOM 1214 HA CYS 80 37.940 46.130 30.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1219 ATOM 1215 CB CYS 80 36.420 46.540 28.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1220 ATOM 1216 HB1 CYS 80 36.390 47.180 27.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1221 ATOM 1217 HB2 CYS 80 36.160 45.540 28.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1222 ATOM 1218 SG CYS 80 35.050 47.130 29.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1223 ATOM 1219 C CYS 80 38.670 45.650 28.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1224 ATOM 1220 O CYS 80 38.710 44.440 28.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1225 ATOM 1221 N SER 81 39.450 46.160 27.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1226 ATOM 1222 H SER 81 39.350 47.160 27.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1227 ATOM 1223 CA SER 81 40.450 45.550 26.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1228 ATOM 1224 HA SER 81 40.000 44.860 25.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1229 ATOM 1225 CB SER 81 41.060 46.620 25.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1230 ATOM 1226 HB1 SER 81 41.910 46.250 24.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1231 ATOM 1227 HB2 SER 81 40.490 47.050 24.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1232 ATOM 1228 OG SER 81 41.540 47.750 26.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1233 ATOM 1229 HG SER 81 40.760 48.290 26.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1234 ATOM 1230 C SER 81 41.620 44.920 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1235 ATOM 1231 O SER 81 42.230 43.960 26.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1236 ATOM 1232 N ALA 82 41.870 45.350 28.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1237 ATOM 1233 H ALA 82 41.300 46.150 28.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1238 ATOM 1234 CA ALA 82 42.780 44.730 29.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1239 ATOM 1235 HA ALA 82 43.770 44.590 28.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1240 ATOM 1236 CB ALA 82 42.970 45.710 30.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1241 ATOM 1237 HB1 ALA 82 43.790 45.400 31.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1242 ATOM 1238 HB2 ALA 82 43.150 46.730 30.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1243 ATOM 1239 HB3 ALA 82 42.110 45.670 31.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1244 ATOM 1240 C ALA 82 42.310 43.350 29.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1245 ATOM 1241 O ALA 82 43.060 42.390 29.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1246 ATOM 1242 N LEU 83 41.000 43.090 29.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1247 ATOM 1243 H LEU 83 40.420 43.880 29.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1248 ATOM 1244 CA LEU 83 40.310 41.890 30.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1249 ATOM 1245 HA LEU 83 40.830 41.550 31.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1250 ATOM 1246 CB LEU 83 38.830 42.150 30.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1251 ATOM 1247 HB1 LEU 83 38.240 42.340 29.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1252 ATOM 1248 HB2 LEU 83 38.290 41.270 30.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1253 ATOM 1249 CG LEU 83 38.510 43.220 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1254 ATOM 1250 HG LEU 83 39.060 44.100 31.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1255 ATOM 1251 CD1 LEU 83 37.000 43.470 31.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1256 ATOM 1252 1HD1 LEU 83 36.770 44.220 32.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1257 ATOM 1253 2HD1 LEU 83 36.690 43.850 30.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1258 ATOM 1254 3HD1 LEU 83 36.470 42.560 31.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1259 ATOM 1255 CD2 LEU 83 39.060 42.910 32.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1260 ATOM 1256 1HD2 LEU 83 38.740 43.540 33.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1261 ATOM 1257 2HD2 LEU 83 38.600 41.980 33.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1262 ATOM 1258 3HD2 LEU 83 40.140 42.990 32.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1263 ATOM 1259 C LEU 83 40.460 40.830 29.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1264 ATOM 1260 O LEU 83 39.900 39.760 29.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1265 ATOM 1261 N LEU 84 41.140 40.990 27.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1266 ATOM 1262 H LEU 84 41.580 41.890 27.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1267 ATOM 1263 CA LEU 84 41.350 40.110 26.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1268 ATOM 1264 HA LEU 84 40.760 39.210 26.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1269 ATOM 1265 CB LEU 84 40.760 40.780 25.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1270 ATOM 1266 HB1 LEU 84 41.260 41.730 25.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1271 ATOM 1267 HB2 LEU 84 41.030 40.200 24.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1272 ATOM 1268 CG LEU 84 39.290 41.200 25.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1273 ATOM 1269 HG LEU 84 39.190 42.020 26.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1274 ATOM 1270 CD1 LEU 84 38.820 41.710 24.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1275 ATOM 1271 1HD1 LEU 84 37.730 41.640 24.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1276 ATOM 1272 2HD1 LEU 84 39.110 42.740 24.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1277 ATOM 1273 3HD1 LEU 84 39.110 41.090 23.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1278 ATOM 1274 CD2 LEU 84 38.400 40.100 26.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1279 ATOM 1275 1HD2 LEU 84 37.360 40.420 26.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1280 ATOM 1276 2HD2 LEU 84 38.430 39.290 25.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1281 ATOM 1277 3HD2 LEU 84 38.690 39.640 27.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1282 ATOM 1278 C LEU 84 42.790 39.640 26.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1283 ATOM 1279 O LEU 84 43.110 38.780 25.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1284 ATOM 1280 N SER 85 43.690 40.160 27.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1285 ATOM 1281 H SER 85 43.280 40.670 28.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1286 ATOM 1282 CA SER 85 45.100 39.860 27.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1287 ATOM 1283 HA SER 85 45.620 39.920 26.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1288 ATOM 1284 CB SER 85 45.660 40.830 28.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1289 ATOM 1285 HB1 SER 85 45.340 41.860 28.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1290 ATOM 1286 HB2 SER 85 45.170 40.530 29.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1291 ATOM 1287 OG SER 85 47.050 40.840 28.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1292 ATOM 1288 HG SER 85 47.540 41.050 28.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1293 ATOM 1289 C SER 85 45.400 38.390 27.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1294 ATOM 1290 O SER 85 44.680 37.750 28.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1295 ATOM 1291 N SER 86 46.510 37.870 27.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1296 ATOM 1292 H SER 86 47.070 38.430 26.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1297 ATOM 1293 CA SER 86 46.800 36.480 27.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1298 ATOM 1294 HA SER 86 45.990 35.760 27.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1299 ATOM 1295 CB SER 86 47.840 36.040 26.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1300 ATOM 1296 HB1 SER 86 48.790 36.580 26.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1301 ATOM 1297 HB2 SER 86 48.040 34.990 26.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1302 ATOM 1298 OG SER 86 47.360 36.030 25.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1303 ATOM 1299 HG SER 86 47.840 36.710 24.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1304 ATOM 1300 C SER 86 47.370 36.260 29.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1305 ATOM 1301 O SER 86 47.520 35.160 29.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1306 ATOM 1302 N ASP 87 47.700 37.370 29.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1307 ATOM 1303 H ASP 87 47.370 38.170 29.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1308 ATOM 1304 CA ASP 87 48.100 37.610 31.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1309 ATOM 1305 HA ASP 87 48.580 36.730 31.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1310 ATOM 1306 CB ASP 87 49.090 38.770 31.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1311 ATOM 1307 HB1 ASP 87 49.730 38.640 30.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1312 ATOM 1308 HB2 ASP 87 48.570 39.720 31.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1313 ATOM 1309 CG ASP 87 49.870 38.660 32.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1314 ATOM 1310 OD1 ASP 87 49.290 38.500 33.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1315 ATOM 1311 OD2 ASP 87 51.100 38.770 32.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1316 ATOM 1312 C ASP 87 46.840 37.840 31.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1317 ATOM 1313 O ASP 87 46.200 38.870 31.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1318 ATOM 1314 N ILE 88 46.480 37.050 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1319 ATOM 1315 H ILE 88 47.250 36.490 33.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1320 ATOM 1316 CA ILE 88 45.320 37.300 33.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1321 ATOM 1317 HA ILE 88 44.490 37.530 33.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1322 ATOM 1318 CB ILE 88 44.900 35.930 34.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1323 ATOM 1319 HB ILE 88 43.960 36.080 34.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1324 ATOM 1320 CG1 ILE 88 45.780 35.310 35.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1325 ATOM 1321 1HG1 ILE 88 46.750 35.000 34.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1326 ATOM 1322 2HG1 ILE 88 45.960 36.060 36.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1327 ATOM 1323 CG2 ILE 88 44.530 35.020 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1328 ATOM 1324 1HG2 ILE 88 43.980 34.200 33.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1329 ATOM 1325 2HG2 ILE 88 43.910 35.510 32.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1330 ATOM 1326 3HG2 ILE 88 45.380 34.530 32.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1331 ATOM 1327 CD ILE 88 45.330 34.010 35.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1332 ATOM 1328 HD1 ILE 88 46.040 33.690 36.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1333 ATOM 1329 HD2 ILE 88 44.400 34.080 36.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1334 ATOM 1330 HD3 ILE 88 45.150 33.160 35.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1335 ATOM 1331 C ILE 88 45.370 38.410 34.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1336 ATOM 1332 O ILE 88 44.420 38.620 35.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1337 ATOM 1333 N THR 89 46.480 39.150 34.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1338 ATOM 1334 H THR 89 47.160 38.920 34.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1339 ATOM 1335 CA THR 89 46.730 40.060 35.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1340 ATOM 1336 HA THR 89 46.890 39.450 36.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1341 ATOM 1337 CB THR 89 48.050 40.820 35.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1342 ATOM 1338 HB THR 89 48.070 41.340 34.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1343 ATOM 1339 OG1 THR 89 49.170 39.970 35.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1344 ATOM 1340 HG1 THR 89 49.070 39.460 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1345 ATOM 1341 CG2 THR 89 48.470 41.990 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1346 ATOM 1342 1HG2 THR 89 47.710 42.770 36.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1347 ATOM 1343 2HG2 THR 89 48.510 41.700 37.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1348 ATOM 1344 3HG2 THR 89 49.380 42.440 36.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1349 ATOM 1345 C THR 89 45.580 41.040 36.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1350 ATOM 1346 O THR 89 45.120 41.180 37.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1351 ATOM 1347 N ALA 90 45.100 41.790 35.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1352 ATOM 1348 H ALA 90 45.530 41.650 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1353 ATOM 1349 CA ALA 90 44.090 42.830 35.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1354 ATOM 1350 HA ALA 90 44.290 43.530 35.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1355 ATOM 1351 CB ALA 90 44.070 43.540 33.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1356 ATOM 1352 HB1 ALA 90 43.390 44.390 33.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1357 ATOM 1353 HB2 ALA 90 45.060 43.940 33.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1358 ATOM 1354 HB3 ALA 90 43.820 42.940 32.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1359 ATOM 1355 C ALA 90 42.670 42.290 35.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1360 ATOM 1356 O ALA 90 41.870 42.980 35.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1361 ATOM 1357 N SER 91 42.290 41.140 34.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1362 ATOM 1358 H SER 91 42.900 40.760 33.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1363 ATOM 1359 CA SER 91 41.030 40.470 34.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1364 ATOM 1360 HA SER 91 40.120 41.030 34.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1365 ATOM 1361 CB SER 91 40.860 39.200 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1366 ATOM 1362 HB1 SER 91 41.650 38.510 34.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1367 ATOM 1363 HB2 SER 91 39.880 38.770 34.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1368 ATOM 1364 OG SER 91 40.950 39.520 32.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1369 ATOM 1365 HG SER 91 41.750 40.000 32.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1370 ATOM 1366 C SER 91 40.960 40.150 36.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1371 ATOM 1367 O SER 91 40.010 40.610 37.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1372 ATOM 1368 N VAL 92 41.940 39.480 37.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1373 ATOM 1369 H VAL 92 42.630 39.130 36.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1374 ATOM 1370 CA VAL 92 42.050 39.130 38.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1375 ATOM 1371 HA VAL 92 41.250 38.490 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1376 ATOM 1372 CB VAL 92 43.380 38.390 38.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1377 ATOM 1373 HB VAL 92 44.160 38.900 38.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1378 ATOM 1374 CG1 VAL 92 43.860 38.380 40.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1379 ATOM 1375 1HG1 VAL 92 43.070 37.980 40.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1380 ATOM 1376 2HG1 VAL 92 44.810 37.840 40.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1381 ATOM 1377 3HG1 VAL 92 44.140 39.330 40.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1382 ATOM 1378 CG2 VAL 92 43.440 36.930 38.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1383 ATOM 1379 1HG2 VAL 92 44.310 36.440 38.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1384 ATOM 1380 2HG2 VAL 92 42.490 36.430 38.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1385 ATOM 1381 3HG2 VAL 92 43.450 36.800 37.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1386 ATOM 1382 C VAL 92 41.980 40.330 39.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1387 ATOM 1383 O VAL 92 41.250 40.350 40.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1388 ATOM 1384 N ASN 93 42.860 41.310 39.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1389 ATOM 1385 H ASN 93 43.470 41.270 38.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1390 ATOM 1386 CA ASN 93 42.940 42.510 40.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1391 ATOM 1387 HA ASN 93 43.170 42.200 41.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1392 ATOM 1388 CB ASN 93 43.950 43.500 39.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1393 ATOM 1389 HB1 ASN 93 44.030 43.440 38.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1394 ATOM 1390 HB2 ASN 93 43.610 44.510 39.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1395 ATOM 1391 CG ASN 93 45.350 43.270 39.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1396 ATOM 1392 OD1 ASN 93 46.250 43.150 39.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1397 ATOM 1393 ND2 ASN 93 45.610 43.370 41.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1398 ATOM 1394 1HD2 ASN 93 44.750 43.340 41.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1399 ATOM 1395 2HD2 ASN 93 46.470 43.200 41.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1400 ATOM 1396 C ASN 93 41.600 43.230 40.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1401 ATOM 1397 O ASN 93 41.240 43.880 41.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1402 ATOM 1398 N CYS 94 40.770 43.090 39.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1403 ATOM 1399 H CYS 94 41.210 42.880 38.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1404 ATOM 1400 CA CYS 94 39.430 43.630 39.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1405 ATOM 1401 HA CYS 94 39.470 44.630 39.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1406 ATOM 1402 CB CYS 94 39.010 43.940 37.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1407 ATOM 1403 HB1 CYS 94 39.790 44.510 37.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1408 ATOM 1404 HB2 CYS 94 38.990 42.990 37.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1409 ATOM 1405 SG CYS 94 37.410 44.690 37.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1410 ATOM 1406 C CYS 94 38.420 42.720 39.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1411 ATOM 1407 O CYS 94 37.750 43.240 40.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1412 ATOM 1408 N ALA 95 38.440 41.410 39.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1413 ATOM 1409 H ALA 95 39.050 41.030 38.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1414 ATOM 1410 CA ALA 95 37.540 40.480 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1415 ATOM 1411 HA ALA 95 36.480 40.740 40.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1416 ATOM 1412 CB ALA 95 37.740 39.150 39.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1417 ATOM 1413 HB1 ALA 95 37.120 38.370 39.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1418 ATOM 1414 HB2 ALA 95 37.700 39.280 38.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1419 ATOM 1415 HB3 ALA 95 38.790 38.880 39.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1420 ATOM 1416 C ALA 95 37.770 40.340 41.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1421 ATOM 1417 O ALA 95 36.840 39.870 42.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1422 ATOM 1418 N LYS 96 38.950 40.700 42.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1423 ATOM 1419 H LYS 96 39.560 41.170 41.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1424 ATOM 1420 CA LYS 96 39.230 40.950 43.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1425 ATOM 1421 HA LYS 96 38.880 40.030 43.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1426 ATOM 1422 CB LYS 96 40.740 41.180 43.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1427 ATOM 1423 HB1 LYS 96 41.010 42.050 43.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1428 ATOM 1424 HB2 LYS 96 40.910 41.630 44.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1429 ATOM 1425 CG LYS 96 41.570 39.900 43.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1430 ATOM 1426 HG1 LYS 96 41.080 39.120 44.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1431 ATOM 1427 HG2 LYS 96 41.650 39.580 42.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1432 ATOM 1428 CD LYS 96 43.010 40.100 44.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1433 ATOM 1429 HD1 LYS 96 43.400 40.880 43.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1434 ATOM 1430 HD2 LYS 96 42.970 40.580 45.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1435 ATOM 1431 CE LYS 96 44.050 38.970 44.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1436 ATOM 1432 HE1 LYS 96 43.740 38.200 44.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1437 ATOM 1433 HE2 LYS 96 44.060 38.550 43.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1438 ATOM 1434 NZ LYS 96 45.410 39.430 44.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1439 ATOM 1435 HZ1 LYS 96 45.710 40.240 43.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1440 ATOM 1436 HZ2 LYS 96 45.560 39.690 45.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1441 ATOM 1437 HZ3 LYS 96 46.050 38.690 44.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1442 ATOM 1438 C LYS 96 38.380 42.060 44.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1443 ATOM 1439 O LYS 96 37.950 42.000 45.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1444 ATOM 1440 N LYS 97 38.010 43.120 43.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1445 ATOM 1441 H LYS 97 38.160 43.210 42.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1446 ATOM 1442 CA LYS 97 37.260 44.260 43.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1447 ATOM 1443 HA LYS 97 37.410 44.620 44.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1448 ATOM 1444 CB LYS 97 37.570 45.410 42.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1449 ATOM 1445 HB1 LYS 97 37.440 45.070 41.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1450 ATOM 1446 HB2 LYS 97 36.840 46.220 42.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1451 ATOM 1447 CG LYS 97 38.970 46.000 43.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1452 ATOM 1448 HG1 LYS 97 39.080 46.460 44.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1453 ATOM 1449 HG2 LYS 97 39.710 45.200 43.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1454 ATOM 1450 CD LYS 97 39.460 46.990 42.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1455 ATOM 1451 HD1 LYS 97 39.750 46.480 41.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1456 ATOM 1452 HD2 LYS 97 38.680 47.740 41.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1457 ATOM 1453 CE LYS 97 40.810 47.610 42.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1458 ATOM 1454 HE1 LYS 97 40.750 47.980 43.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1459 ATOM 1455 HE2 LYS 97 41.650 46.910 42.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1460 ATOM 1456 NZ LYS 97 41.060 48.680 41.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1461 ATOM 1457 HZ1 LYS 97 42.020 48.960 41.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1462 ATOM 1458 HZ2 LYS 97 41.130 48.370 40.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1463 ATOM 1459 HZ3 LYS 97 40.470 49.470 41.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1464 ATOM 1460 C LYS 97 35.790 43.870 43.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1465 ATOM 1461 O LYS 97 35.020 44.380 44.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1466 ATOM 1462 N ILE 98 35.350 43.070 42.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1467 ATOM 1463 H ILE 98 35.990 42.710 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1468 ATOM 1464 CA ILE 98 33.970 42.680 42.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1469 ATOM 1465 HA ILE 98 33.350 43.570 42.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1470 ATOM 1466 CB ILE 98 33.810 42.240 41.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1471 ATOM 1467 HB ILE 98 34.380 41.320 41.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1472 ATOM 1468 CG1 ILE 98 34.430 43.210 40.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1473 ATOM 1469 1HG1 ILE 98 33.650 43.980 40.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1474 ATOM 1470 2HG1 ILE 98 35.430 43.540 40.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1475 ATOM 1471 CG2 ILE 98 32.430 41.780 40.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1476 ATOM 1472 1HG2 ILE 98 32.630 41.100 39.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1477 ATOM 1473 2HG2 ILE 98 31.890 41.220 41.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1478 ATOM 1474 3HG2 ILE 98 31.820 42.660 40.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1479 ATOM 1475 CD ILE 98 34.680 42.730 38.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1480 ATOM 1476 HD1 ILE 98 35.070 43.470 38.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1481 ATOM 1477 HD2 ILE 98 35.370 41.880 38.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1482 ATOM 1478 HD3 ILE 98 33.740 42.340 38.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1483 ATOM 1479 C ILE 98 33.560 41.550 43.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1484 ATOM 1480 O ILE 98 32.410 41.510 44.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1485 ATOM 1481 N VAL 99 34.490 40.780 44.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1486 ATOM 1482 H VAL 99 35.450 40.840 43.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1487 ATOM 1483 CA VAL 99 34.140 39.830 45.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1488 ATOM 1484 HA VAL 99 33.190 39.370 44.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1489 ATOM 1485 CB VAL 99 35.120 38.660 45.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1490 ATOM 1486 HB VAL 99 35.070 38.360 44.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1491 ATOM 1487 CG1 VAL 99 36.570 39.070 45.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1492 ATOM 1488 1HG1 VAL 99 37.270 38.240 45.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1493 ATOM 1489 2HG1 VAL 99 36.910 39.660 44.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1494 ATOM 1490 3HG1 VAL 99 36.690 39.710 46.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1495 ATOM 1491 CG2 VAL 99 34.670 37.440 46.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1496 ATOM 1492 1HG2 VAL 99 35.290 36.560 45.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1497 ATOM 1493 2HG2 VAL 99 34.700 37.700 47.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1498 ATOM 1494 3HG2 VAL 99 33.690 37.060 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1499 ATOM 1495 C VAL 99 34.020 40.530 46.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1500 ATOM 1496 O VAL 99 33.310 40.050 47.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1501 ATOM 1497 N SER 100 34.670 41.690 46.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1502 ATOM 1498 H SER 100 35.130 41.890 45.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1503 ATOM 1499 CA SER 100 34.860 42.510 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1504 ATOM 1500 HA SER 100 34.650 41.870 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1505 ATOM 1501 CB SER 100 36.270 43.100 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1506 ATOM 1502 HB1 SER 100 36.460 43.720 47.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1507 ATOM 1503 HB2 SER 100 36.550 43.730 48.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1508 ATOM 1504 OG SER 100 37.190 42.030 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1509 ATOM 1505 HG SER 100 37.170 41.850 46.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1510 ATOM 1506 C SER 100 33.760 43.560 47.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1511 ATOM 1507 O SER 100 33.770 44.390 48.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1512 ATOM 1508 N ASP 101 32.740 43.610 47.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1513 ATOM 1509 H ASP 101 32.630 42.820 46.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1514 ATOM 1510 CA ASP 101 31.710 44.610 46.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1515 ATOM 1511 HA ASP 101 32.200 45.550 47.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1516 ATOM 1512 CB ASP 101 31.410 44.800 45.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1517 ATOM 1513 HB1 ASP 101 32.280 45.130 44.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1518 ATOM 1514 HB2 ASP 101 31.110 43.920 44.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1519 ATOM 1515 CG ASP 101 30.330 45.830 45.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1520 ATOM 1516 OD1 ASP 101 30.600 47.000 45.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1521 ATOM 1517 OD2 ASP 101 29.240 45.440 44.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1522 ATOM 1518 C ASP 101 30.530 44.570 47.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1523 ATOM 1519 O ASP 101 30.060 45.620 48.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1524 ATOM 1520 N GLY 102 30.120 43.370 48.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1525 ATOM 1521 H GLY 102 30.560 42.690 47.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1526 ATOM 1522 CA GLY 102 29.300 42.980 49.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1527 ATOM 1523 HA1 GLY 102 29.890 42.520 50.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1528 ATOM 1524 HA2 GLY 102 28.850 43.850 49.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1529 ATOM 1525 C GLY 102 28.210 41.990 49.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1530 ATOM 1526 O GLY 102 27.140 42.070 49.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1531 ATOM 1527 N ASN 103 28.530 41.000 48.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1532 ATOM 1528 H ASN 103 29.510 40.910 47.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1533 ATOM 1529 CA ASN 103 27.620 39.930 47.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1534 ATOM 1530 HA ASN 103 26.900 39.780 48.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1535 ATOM 1531 CB ASN 103 26.720 40.490 46.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1536 ATOM 1532 HB1 ASN 103 26.560 41.570 46.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1537 ATOM 1533 HB2 ASN 103 27.100 40.340 45.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1538 ATOM 1534 CG ASN 103 25.330 39.870 46.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1539 ATOM 1535 OD1 ASN 103 25.160 38.690 47.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1540 ATOM 1536 ND2 ASN 103 24.300 40.640 46.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1541 ATOM 1537 1HD2 ASN 103 24.350 41.630 46.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1542 ATOM 1538 2HD2 ASN 103 23.400 40.190 46.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1543 ATOM 1539 C ASN 103 28.390 38.650 47.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1544 ATOM 1540 O ASN 103 27.950 37.530 47.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1545 ATOM 1541 N GLY 104 29.640 38.800 47.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1546 ATOM 1542 H GLY 104 29.930 39.760 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1547 ATOM 1543 CA GLY 104 30.610 37.740 46.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1548 ATOM 1544 HA1 GLY 104 31.570 37.790 47.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1549 ATOM 1545 HA2 GLY 104 30.220 36.810 47.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1550 ATOM 1546 C GLY 104 30.880 37.460 45.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1551 ATOM 1547 O GLY 104 30.790 38.370 44.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1552 ATOM 1548 N MET 105 31.110 36.190 45.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1553 ATOM 1549 H MET 105 31.240 35.630 45.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1554 ATOM 1550 CA MET 105 31.120 35.560 43.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1555 ATOM 1551 HA MET 105 31.800 36.160 43.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1556 ATOM 1552 CB MET 105 31.740 34.170 43.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1557 ATOM 1553 HB1 MET 105 31.280 33.710 44.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1558 ATOM 1554 HB2 MET 105 31.490 33.550 43.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1559 ATOM 1555 CG MET 105 33.260 34.240 44.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1560 ATOM 1556 HG1 MET 105 33.650 35.140 43.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1561 ATOM 1557 HG2 MET 105 33.570 34.380 45.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1562 ATOM 1558 SD MET 105 34.260 32.860 43.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1563 ATOM 1559 CE MET 105 34.400 33.170 41.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1564 ATOM 1560 HE1 MET 105 34.510 32.220 41.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1565 ATOM 1561 HE2 MET 105 33.430 33.580 41.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1566 ATOM 1562 HE3 MET 105 35.220 33.870 41.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1567 ATOM 1563 C MET 105 29.700 35.480 43.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1568 ATOM 1564 O MET 105 29.520 34.950 42.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1569 ATOM 1565 N ASN 106 28.690 36.020 43.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1570 ATOM 1566 H ASN 106 28.810 36.350 44.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1571 ATOM 1567 CA ASN 106 27.350 36.030 43.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1572 ATOM 1568 HA ASN 106 27.090 35.060 42.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1573 ATOM 1569 CB ASN 106 26.370 36.340 44.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1574 ATOM 1570 HB1 ASN 106 26.610 37.290 45.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1575 ATOM 1571 HB2 ASN 106 25.370 36.490 44.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1576 ATOM 1572 CG ASN 106 26.250 35.130 45.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1577 ATOM 1573 OD1 ASN 106 25.930 34.080 44.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1578 ATOM 1574 ND2 ASN 106 26.670 35.260 46.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1579 ATOM 1575 1HD2 ASN 106 27.010 36.140 47.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1580 ATOM 1576 2HD2 ASN 106 26.910 34.410 47.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1581 ATOM 1577 C ASN 106 27.130 37.080 42.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1582 ATOM 1578 O ASN 106 26.090 37.100 41.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1583 ATOM 1579 N ALA 107 28.140 37.930 42.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1584 ATOM 1580 H ALA 107 28.980 37.970 42.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1585 ATOM 1581 CA ALA 107 28.140 38.870 41.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1586 ATOM 1582 HA ALA 107 27.220 39.470 41.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1587 ATOM 1583 CB ALA 107 29.350 39.790 41.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1588 ATOM 1584 HB1 ALA 107 29.490 40.500 40.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1589 ATOM 1585 HB2 ALA 107 29.290 40.190 42.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1590 ATOM 1586 HB3 ALA 107 30.280 39.220 41.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1591 ATOM 1587 C ALA 107 28.320 38.230 39.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1592 ATOM 1588 O ALA 107 28.130 38.930 38.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1593 ATOM 1589 N TRP 108 28.610 36.920 39.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1594 ATOM 1590 H TRP 108 28.820 36.530 40.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1595 ATOM 1591 CA TRP 108 28.760 36.070 38.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1596 ATOM 1592 HA TRP 108 28.810 36.570 37.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1597 ATOM 1593 CB TRP 108 30.130 35.390 38.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1598 ATOM 1594 HB1 TRP 108 30.300 34.880 39.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1599 ATOM 1595 HB2 TRP 108 30.030 34.570 37.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1600 ATOM 1596 CG TRP 108 31.310 36.240 38.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1601 ATOM 1597 CD1 TRP 108 31.620 36.560 37.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1602 ATOM 1598 HD1 TRP 108 31.130 36.120 36.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1603 ATOM 1599 CD2 TRP 108 32.100 37.100 39.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1604 ATOM 1600 NE1 TRP 108 32.660 37.470 37.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1605 ATOM 1601 HE1 TRP 108 32.980 37.810 36.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1606 ATOM 1602 CE2 TRP 108 33.060 37.740 38.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1607 ATOM 1603 CE3 TRP 108 32.110 37.340 40.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1608 ATOM 1604 HE3 TRP 108 31.490 36.710 41.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1609 ATOM 1605 CZ2 TRP 108 34.050 38.560 38.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1610 ATOM 1606 HZ2 TRP 108 34.770 39.010 38.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1611 ATOM 1607 CZ3 TRP 108 33.040 38.270 41.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1612 ATOM 1608 HZ3 TRP 108 33.040 38.510 42.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1613 ATOM 1609 CH2 TRP 108 34.090 38.780 40.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1614 ATOM 1610 HH2 TRP 108 34.860 39.340 40.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1615 ATOM 1611 C TRP 108 27.710 34.970 38.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1616 ATOM 1612 O TRP 108 27.710 34.040 39.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1617 ATOM 1613 N VAL 109 26.770 35.090 37.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1618 ATOM 1614 H VAL 109 27.000 35.790 36.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1619 ATOM 1615 CA VAL 109 25.570 34.300 37.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1620 ATOM 1616 HA VAL 109 25.010 34.350 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1621 ATOM 1617 CB VAL 109 24.770 34.880 36.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1622 ATOM 1618 HB VAL 109 24.780 35.960 36.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1623 ATOM 1619 CG1 VAL 109 25.450 34.650 34.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1624 ATOM 1620 1HG1 VAL 109 25.400 35.520 34.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1625 ATOM 1621 2HG1 VAL 109 26.520 34.410 34.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1626 ATOM 1622 3HG1 VAL 109 25.050 33.900 34.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1627 ATOM 1623 CG2 VAL 109 23.370 34.270 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1628 ATOM 1624 1HG2 VAL 109 22.690 35.010 35.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1629 ATOM 1625 2HG2 VAL 109 23.510 33.340 35.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1630 ATOM 1626 3HG2 VAL 109 22.910 33.940 37.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1631 ATOM 1627 C VAL 109 25.910 32.830 37.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1632 ATOM 1628 O VAL 109 25.130 31.910 37.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1633 ATOM 1629 N ALA 110 27.110 32.540 36.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1634 ATOM 1630 H ALA 110 27.720 33.300 36.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1635 ATOM 1631 CA ALA 110 27.480 31.170 36.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1636 ATOM 1632 HA ALA 110 26.550 30.750 36.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1637 ATOM 1633 CB ALA 110 28.420 31.010 35.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1638 ATOM 1634 HB1 ALA 110 28.590 30.030 34.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1639 ATOM 1635 HB2 ALA 110 28.080 31.540 34.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1640 ATOM 1636 HB3 ALA 110 29.430 31.390 35.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1641 ATOM 1637 C ALA 110 27.950 30.450 37.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1642 ATOM 1638 O ALA 110 27.630 29.270 37.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1643 ATOM 1639 N TRP 111 28.540 31.250 38.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1644 ATOM 1640 H TRP 111 28.660 32.210 38.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1645 ATOM 1641 CA TRP 111 28.900 30.730 39.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1646 ATOM 1642 HA TRP 111 29.470 29.840 39.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1647 ATOM 1643 CB TRP 111 29.930 31.640 40.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1648 ATOM 1644 HB1 TRP 111 30.740 31.880 39.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1649 ATOM 1645 HB2 TRP 111 29.570 32.650 40.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1650 ATOM 1646 CG TRP 111 30.450 31.050 41.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1651 ATOM 1647 CD1 TRP 111 31.490 30.200 41.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1652 ATOM 1648 HD1 TRP 111 32.100 29.950 41.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1653 ATOM 1649 CD2 TRP 111 29.880 31.230 43.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1654 ATOM 1650 NE1 TRP 111 31.450 29.650 43.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1655 ATOM 1651 HE1 TRP 111 32.220 29.210 43.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1656 ATOM 1652 CE2 TRP 111 30.540 30.310 44.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1657 ATOM 1653 CE3 TRP 111 28.810 31.970 43.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1658 ATOM 1654 HE3 TRP 111 28.240 32.600 43.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1659 ATOM 1655 CZ2 TRP 111 30.250 30.260 45.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1660 ATOM 1656 HZ2 TRP 111 30.750 29.630 46.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1661 ATOM 1657 CZ3 TRP 111 28.490 31.930 45.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1662 ATOM 1658 HZ3 TRP 111 27.620 32.420 45.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1663 ATOM 1659 CH2 TRP 111 29.220 31.060 45.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1664 ATOM 1660 HH2 TRP 111 28.920 30.840 46.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1665 ATOM 1661 C TRP 111 27.670 30.390 40.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1666 ATOM 1662 O TRP 111 27.700 29.410 41.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1667 ATOM 1663 N ARG 112 26.580 31.160 40.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1668 ATOM 1664 H ARG 112 26.560 31.930 39.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1669 ATOM 1665 CA ARG 112 25.360 30.950 41.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1670 ATOM 1666 HA ARG 112 25.600 30.680 42.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1671 ATOM 1667 CB ARG 112 24.380 32.120 41.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1672 ATOM 1668 HB1 ARG 112 23.820 32.110 40.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1673 ATOM 1669 HB2 ARG 112 23.620 31.930 41.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1674 ATOM 1670 CG ARG 112 25.000 33.490 41.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1675 ATOM 1671 HG1 ARG 112 25.780 33.440 42.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1676 ATOM 1672 HG2 ARG 112 25.450 33.730 40.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1677 ATOM 1673 CD ARG 112 23.940 34.490 41.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1678 ATOM 1674 HD1 ARG 112 23.280 33.990 42.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1679 ATOM 1675 HD2 ARG 112 24.380 35.380 42.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1680 ATOM 1676 NE ARG 112 23.210 34.780 40.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1681 ATOM 1677 HE ARG 112 22.630 33.990 40.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1682 ATOM 1678 CZ ARG 112 23.210 35.760 39.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1683 ATOM 1679 NH1 ARG 112 24.120 36.730 39.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1684 ATOM 1680 1HH1 ARG 112 24.820 36.760 40.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1685 ATOM 1681 2HH1 ARG 112 24.100 37.550 39.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1686 ATOM 1682 NH2 ARG 112 22.340 35.900 38.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1687 ATOM 1683 1HH2 ARG 112 21.590 35.230 38.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1688 ATOM 1684 2HH2 ARG 112 22.390 36.780 38.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1689 ATOM 1685 C ARG 112 24.730 29.680 40.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1690 ATOM 1686 O ARG 112 24.390 28.770 41.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1691 ATOM 1687 N ASN 113 24.590 29.630 39.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1692 ATOM 1688 H ASN 113 24.700 30.490 38.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1693 ATOM 1689 CA ASN 113 23.880 28.580 38.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1694 ATOM 1690 HA ASN 113 22.980 28.240 39.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1695 ATOM 1691 CB ASN 113 23.350 29.070 37.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1696 ATOM 1692 HB1 ASN 113 24.160 29.470 36.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1697 ATOM 1693 HB2 ASN 113 22.960 28.220 36.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1698 ATOM 1694 CG ASN 113 22.230 30.100 37.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1699 ATOM 1695 OD1 ASN 113 21.400 30.160 38.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1700 ATOM 1696 ND2 ASN 113 22.040 30.990 36.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1701 ATOM 1697 1HD2 ASN 113 22.390 30.920 35.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1702 ATOM 1698 2HD2 ASN 113 21.190 31.530 36.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1703 ATOM 1699 C ASN 113 24.610 27.250 38.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1704 ATOM 1700 O ASN 113 23.930 26.230 38.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1705 ATOM 1701 N ARG 114 25.940 27.250 38.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1706 ATOM 1702 H ARG 114 26.520 28.070 38.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1707 ATOM 1703 CA ARG 114 26.600 26.010 38.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1708 ATOM 1704 HA ARG 114 25.850 25.230 38.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1709 ATOM 1705 CB ARG 114 27.060 25.920 36.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1710 ATOM 1706 HB1 ARG 114 27.780 26.700 36.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1711 ATOM 1707 HB2 ARG 114 27.610 24.980 36.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1712 ATOM 1708 CG ARG 114 25.910 25.900 35.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1713 ATOM 1709 HG1 ARG 114 25.250 25.080 35.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1714 ATOM 1710 HG2 ARG 114 25.370 26.840 35.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1715 ATOM 1711 CD ARG 114 26.330 25.670 34.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1716 ATOM 1712 HD1 ARG 114 27.270 25.150 34.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1717 ATOM 1713 HD2 ARG 114 25.580 25.050 33.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1718 ATOM 1714 NE ARG 114 26.160 26.840 33.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1719 ATOM 1715 HE ARG 114 25.730 27.660 33.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1720 ATOM 1716 CZ ARG 114 26.560 26.880 32.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1721 ATOM 1717 NH1 ARG 114 27.150 25.830 31.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1722 ATOM 1718 1HH1 ARG 114 27.090 24.880 31.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1723 ATOM 1719 2HH1 ARG 114 27.380 25.950 30.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1724 ATOM 1720 NH2 ARG 114 26.560 28.050 31.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1725 ATOM 1721 1HH2 ARG 114 26.280 28.870 31.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1726 ATOM 1722 2HH2 ARG 114 26.930 28.220 30.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1727 ATOM 1723 C ARG 114 27.710 25.700 39.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1728 ATOM 1724 O ARG 114 28.290 24.630 38.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1729 ATOM 1725 N CYS 115 27.940 26.460 40.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1730 ATOM 1726 H CYS 115 27.520 27.380 40.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1731 ATOM 1727 CA CYS 115 29.050 26.220 41.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1732 ATOM 1728 HA CYS 115 29.520 25.260 40.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1733 ATOM 1729 CB CYS 115 30.180 27.250 40.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1734 ATOM 1730 HB1 CYS 115 29.940 28.250 41.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1735 ATOM 1731 HB2 CYS 115 30.960 27.010 41.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1736 ATOM 1732 SG CYS 115 30.910 27.560 39.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1737 ATOM 1733 C CYS 115 28.670 26.110 42.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1738 ATOM 1734 O CYS 115 29.180 25.200 43.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1739 ATOM 1735 N LYS 116 27.910 27.080 43.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1740 ATOM 1736 H LYS 116 27.680 27.840 42.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1741 ATOM 1737 CA LYS 116 27.550 27.250 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1742 ATOM 1738 HA LYS 116 28.480 27.510 44.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1743 ATOM 1739 CB LYS 116 26.600 28.450 44.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1744 ATOM 1740 HB1 LYS 116 27.130 29.250 44.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1745 ATOM 1741 HB2 LYS 116 25.740 28.160 43.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1746 ATOM 1742 CG LYS 116 26.220 28.840 45.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1747 ATOM 1743 HG1 LYS 116 25.640 28.040 46.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1748 ATOM 1744 HG2 LYS 116 27.080 29.000 46.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1749 ATOM 1745 CD LYS 116 25.310 30.070 45.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1750 ATOM 1746 HD1 LYS 116 25.650 30.830 45.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1751 ATOM 1747 HD2 LYS 116 24.370 29.640 45.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1752 ATOM 1748 CE LYS 116 25.110 30.680 47.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1753 ATOM 1749 HE1 LYS 116 25.190 29.830 48.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1754 ATOM 1750 HE2 LYS 116 25.840 31.450 47.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1755 ATOM 1751 NZ LYS 116 23.740 31.180 47.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1756 ATOM 1752 HZ1 LYS 116 23.490 31.580 48.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1757 ATOM 1753 HZ2 LYS 116 23.470 31.960 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1758 ATOM 1754 HZ3 LYS 116 23.000 30.500 47.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1759 ATOM 1755 C LYS 116 26.980 25.970 45.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1760 ATOM 1756 O LYS 116 26.080 25.380 44.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1761 ATOM 1757 N GLY 117 27.650 25.420 46.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1762 ATOM 1758 H GLY 117 28.560 25.770 46.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1763 ATOM 1759 CA GLY 117 27.050 24.300 46.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1764 ATOM 1760 HA1 GLY 117 27.110 24.410 47.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1765 ATOM 1761 HA2 GLY 117 25.990 24.240 46.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1766 ATOM 1762 C GLY 117 27.650 22.950 46.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1767 ATOM 1763 O GLY 117 27.400 21.980 47.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1768 ATOM 1764 N THR 118 28.480 22.840 45.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1769 ATOM 1765 H THR 118 28.770 23.730 44.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1770 ATOM 1766 CA THR 118 29.040 21.640 44.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1771 ATOM 1767 HA THR 118 28.470 20.720 44.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1772 ATOM 1768 CB THR 118 29.210 21.720 43.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1773 ATOM 1769 HB THR 118 29.460 20.720 42.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1774 ATOM 1770 OG1 THR 118 30.090 22.700 42.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1775 ATOM 1771 HG1 THR 118 29.810 23.560 43.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1776 ATOM 1772 CG2 THR 118 27.850 22.010 42.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1777 ATOM 1773 1HG2 THR 118 27.840 21.790 41.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1778 ATOM 1774 2HG2 THR 118 27.070 21.410 43.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1779 ATOM 1775 3HG2 THR 118 27.450 23.000 42.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1780 ATOM 1776 C THR 118 30.430 21.350 45.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1781 ATOM 1777 O THR 118 31.040 22.260 45.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1782 ATOM 1778 N ASP 119 31.060 20.200 45.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1783 ATOM 1779 H ASP 119 30.490 19.570 44.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1784 ATOM 1780 CA ASP 119 32.410 19.850 45.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1785 ATOM 1781 HA ASP 119 32.720 20.180 46.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1786 ATOM 1782 CB ASP 119 32.450 18.320 45.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1787 ATOM 1783 HB1 ASP 119 31.690 17.990 46.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1788 ATOM 1784 HB2 ASP 119 32.100 18.170 44.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1789 ATOM 1785 CG ASP 119 33.850 17.780 45.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1790 ATOM 1786 OD1 ASP 119 34.670 18.390 46.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1791 ATOM 1787 OD2 ASP 119 34.180 16.750 44.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1792 ATOM 1788 C ASP 119 33.290 20.600 44.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1793 ATOM 1789 O ASP 119 33.710 20.010 43.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1794 ATOM 1790 N VAL 120 33.540 21.900 44.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1795 ATOM 1791 H VAL 120 32.880 22.320 45.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1796 ATOM 1792 CA VAL 120 34.270 22.710 43.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1797 ATOM 1793 HA VAL 120 33.880 22.550 42.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1798 ATOM 1794 CB VAL 120 34.050 24.170 44.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1799 ATOM 1795 HB VAL 120 34.540 24.900 43.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1800 ATOM 1796 CG1 VAL 120 32.570 24.520 43.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1801 ATOM 1797 1HG1 VAL 120 32.430 25.600 43.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1802 ATOM 1798 2HG1 VAL 120 32.140 24.270 42.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1803 ATOM 1799 3HG1 VAL 120 31.950 24.050 44.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1804 ATOM 1800 CG2 VAL 120 34.410 24.490 45.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1805 ATOM 1801 1HG2 VAL 120 34.270 25.530 45.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1806 ATOM 1802 2HG2 VAL 120 33.800 23.980 46.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1807 ATOM 1803 3HG2 VAL 120 35.460 24.480 45.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1808 ATOM 1804 C VAL 120 35.760 22.410 43.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1809 ATOM 1805 O VAL 120 36.470 23.000 42.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1810 ATOM 1806 N GLN 121 36.260 21.520 44.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1811 ATOM 1807 H GLN 121 35.550 20.980 44.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1812 ATOM 1808 CA GLN 121 37.640 21.120 44.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1813 ATOM 1809 HA GLN 121 38.390 21.900 44.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1814 ATOM 1810 CB GLN 121 37.680 20.520 46.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1815 ATOM 1811 HB1 GLN 121 37.290 21.330 46.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1816 ATOM 1812 HB2 GLN 121 37.050 19.630 46.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1817 ATOM 1813 CG GLN 121 39.070 20.210 46.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1818 ATOM 1814 HG1 GLN 121 39.690 19.630 45.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1819 ATOM 1815 HG2 GLN 121 39.550 21.170 46.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1820 ATOM 1816 CD GLN 121 39.160 19.480 47.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1821 ATOM 1817 OE1 GLN 121 40.250 19.010 48.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1822 ATOM 1818 NE2 GLN 121 38.020 19.290 48.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1823 ATOM 1819 1HE2 GLN 121 37.120 19.670 48.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1824 ATOM 1820 2HE2 GLN 121 38.170 18.680 49.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1825 ATOM 1821 C GLN 121 38.030 20.090 43.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1826 ATOM 1822 O GLN 121 39.180 20.050 43.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1827 ATOM 1823 N ALA 122 36.980 19.470 43.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1828 ATOM 1824 H ALA 122 36.050 19.610 43.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1829 ATOM 1825 CA ALA 122 36.960 18.800 41.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1830 ATOM 1826 HA ALA 122 37.450 17.840 41.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1831 ATOM 1827 CB ALA 122 35.560 18.340 41.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1832 ATOM 1828 HB1 ALA 122 35.530 17.510 40.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1833 ATOM 1829 HB2 ALA 122 35.020 17.940 42.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1834 ATOM 1830 HB3 ALA 122 34.940 19.160 40.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1835 ATOM 1831 C ALA 122 37.730 19.430 40.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1836 ATOM 1832 O ALA 122 38.420 18.730 39.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1837 ATOM 1833 N TRP 123 37.660 20.770 40.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1838 ATOM 1834 H TRP 123 36.910 21.290 40.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1839 ATOM 1835 CA TRP 123 38.390 21.650 39.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1840 ATOM 1836 HA TRP 123 38.240 21.310 38.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1841 ATOM 1837 CB TRP 123 37.770 23.050 39.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1842 ATOM 1838 HB1 TRP 123 37.790 23.490 40.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1843 ATOM 1839 HB2 TRP 123 38.460 23.680 39.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1844 ATOM 1840 CG TRP 123 36.410 23.110 39.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1845 ATOM 1841 CD1 TRP 123 35.300 23.150 39.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1846 ATOM 1842 HD1 TRP 123 35.180 23.340 40.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1847 ATOM 1843 CD2 TRP 123 36.020 22.880 37.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1848 ATOM 1844 NE1 TRP 123 34.210 22.890 39.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1849 ATOM 1845 HE1 TRP 123 33.270 22.770 39.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1850 ATOM 1846 CE2 TRP 123 34.620 22.610 37.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1851 ATOM 1847 CE3 TRP 123 36.710 22.670 36.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1852 ATOM 1848 HE3 TRP 123 37.760 22.910 36.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1853 ATOM 1849 CZ2 TRP 123 33.940 22.170 36.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1854 ATOM 1850 HZ2 TRP 123 32.880 21.960 36.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1855 ATOM 1851 CZ3 TRP 123 36.010 22.290 35.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1856 ATOM 1852 HZ3 TRP 123 36.440 22.150 34.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1857 ATOM 1853 CH2 TRP 123 34.640 21.990 35.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1858 ATOM 1854 HH2 TRP 123 34.210 21.680 34.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1859 ATOM 1855 C TRP 123 39.890 21.720 39.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1860 ATOM 1856 O TRP 123 40.590 22.020 38.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1861 ATOM 1857 N ILE 124 40.390 21.270 41.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1862 ATOM 1858 H ILE 124 39.770 20.960 41.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1863 ATOM 1859 CA ILE 124 41.790 21.220 41.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1864 ATOM 1860 HA ILE 124 42.410 21.550 40.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1865 ATOM 1861 CB ILE 124 42.150 22.190 42.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1866 ATOM 1862 HB ILE 124 43.240 22.210 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1867 ATOM 1863 CG1 ILE 124 41.680 21.770 43.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1868 ATOM 1864 1HG1 ILE 124 40.600 21.870 43.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1869 ATOM 1865 2HG1 ILE 124 42.000 20.760 44.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1870 ATOM 1866 CG2 ILE 124 41.740 23.640 42.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1871 ATOM 1867 1HG2 ILE 124 42.400 24.290 42.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1872 ATOM 1868 2HG2 ILE 124 42.100 23.990 41.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1873 ATOM 1869 3HG2 ILE 124 40.690 23.870 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1874 ATOM 1870 CD ILE 124 42.230 22.710 44.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1875 ATOM 1871 HD1 ILE 124 42.190 22.320 45.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1876 ATOM 1872 HD2 ILE 124 43.280 22.980 44.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1877 ATOM 1873 HD3 ILE 124 41.720 23.660 45.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1878 ATOM 1874 C ILE 124 42.420 19.850 41.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1879 ATOM 1875 O ILE 124 43.630 19.750 41.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1880 ATOM 1876 N ARG 125 41.690 18.740 41.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1881 ATOM 1877 H ARG 125 40.720 18.790 41.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1882 ATOM 1878 CA ARG 125 42.260 17.410 41.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1883 ATOM 1879 HA ARG 125 42.970 17.480 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1884 ATOM 1880 CB ARG 125 41.190 16.360 41.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1885 ATOM 1881 HB1 ARG 125 40.590 16.240 40.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1886 ATOM 1882 HB2 ARG 125 41.670 15.410 42.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1887 ATOM 1883 CG ARG 125 40.240 16.820 42.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1888 ATOM 1884 HG1 ARG 125 40.840 17.260 43.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1889 ATOM 1885 HG2 ARG 125 39.700 17.690 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1890 ATOM 1886 CD ARG 125 39.320 15.710 43.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1891 ATOM 1887 HD1 ARG 125 38.670 15.490 42.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1892 ATOM 1888 HD2 ARG 125 39.900 14.820 43.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1893 ATOM 1889 NE ARG 125 38.680 16.120 44.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1894 ATOM 1890 HE ARG 125 39.270 16.140 45.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1895 ATOM 1891 CZ ARG 125 37.390 16.470 44.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1896 ATOM 1892 NH1 ARG 125 36.470 16.070 43.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1897 ATOM 1893 1HH1 ARG 125 36.700 15.320 43.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1898 ATOM 1894 2HH1 ARG 125 35.520 16.360 43.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1899 ATOM 1895 NH2 ARG 125 36.960 17.110 45.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1900 ATOM 1896 1HH2 ARG 125 37.490 16.920 46.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1901 ATOM 1897 2HH2 ARG 125 36.010 17.400 45.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1902 ATOM 1898 C ARG 125 42.980 17.120 40.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1903 ATOM 1899 O ARG 125 42.510 17.580 39.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1904 ATOM 1900 N GLY 126 44.190 16.590 40.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1905 ATOM 1901 H GLY 126 44.560 16.470 41.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1906 ATOM 1902 CA GLY 126 45.040 16.290 39.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1907 ATOM 1903 HA1 GLY 126 45.200 15.230 39.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1908 ATOM 1904 HA2 GLY 126 44.500 16.270 38.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1909 ATOM 1905 C GLY 126 46.250 17.210 39.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1910 ATOM 1906 O GLY 126 47.340 16.760 38.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1911 ATOM 1907 N CYS 127 46.000 18.490 39.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1912 ATOM 1908 H CYS 127 45.060 18.700 39.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1913 ATOM 1909 CA CYS 127 46.920 19.590 39.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1914 ATOM 1910 HA CYS 127 47.400 19.410 38.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1915 ATOM 1911 CB CYS 127 46.100 20.870 39.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1916 ATOM 1912 HB1 CYS 127 45.870 21.130 40.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1917 ATOM 1913 HB2 CYS 127 46.720 21.710 38.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1918 ATOM 1914 SG CYS 127 44.580 20.890 38.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1919 ATOM 1915 C CYS 127 47.980 19.570 40.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1920 ATOM 1916 O CYS 127 47.640 19.480 41.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1921 ATOM 1917 N ARG 128 49.220 19.930 39.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1922 ATOM 1918 H ARG 128 49.330 20.100 38.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1923 ATOM 1919 CA ARG 128 50.250 20.310 40.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1924 ATOM 1920 HA ARG 128 50.120 19.890 41.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1925 ATOM 1921 CB ARG 128 51.640 19.970 40.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1926 ATOM 1922 HB1 ARG 128 51.670 20.110 39.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1927 ATOM 1923 HB2 ARG 128 52.310 20.690 40.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1928 ATOM 1924 CG ARG 128 52.100 18.540 40.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1929 ATOM 1925 HG1 ARG 128 51.300 17.840 40.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1930 ATOM 1926 HG2 ARG 128 52.930 18.310 39.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1931 ATOM 1927 CD ARG 128 52.530 18.270 42.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1932 ATOM 1928 HD1 ARG 128 51.850 18.750 42.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1933 ATOM 1929 HD2 ARG 128 52.380 17.200 42.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1934 ATOM 1930 NE ARG 128 53.930 18.630 42.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1935 ATOM 1931 HE ARG 128 54.530 17.890 41.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1936 ATOM 1932 CZ ARG 128 54.480 19.770 42.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1937 ATOM 1933 NH1 ARG 128 53.670 20.770 43.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1938 ATOM 1934 1HH1 ARG 128 52.750 20.440 43.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1939 ATOM 1935 2HH1 ARG 128 53.920 21.740 43.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1940 ATOM 1936 NH2 ARG 128 55.810 19.910 42.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1941 ATOM 1937 1HH2 ARG 128 56.440 19.120 42.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1942 ATOM 1938 2HH2 ARG 128 56.360 20.750 42.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1943 ATOM 1939 C ARG 128 50.190 21.820 40.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1944 ATOM 1940 O ARG 128 50.420 22.580 40.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1945 ATOM 1941 N LEU 129 49.840 22.290 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1946 ATOM 1942 H LEU 129 49.710 21.710 43.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1947 ATOM 1943 CA LEU 129 49.820 23.680 42.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1948 ATOM 1944 HA LEU 129 50.090 24.360 41.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1949 ATOM 1945 CB LEU 129 48.450 24.020 43.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1950 ATOM 1946 HB1 LEU 129 48.430 23.570 44.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1951 ATOM 1947 HB2 LEU 129 48.420 25.100 43.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1952 ATOM 1948 CG LEU 129 47.180 23.650 42.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1953 ATOM 1949 HG LEU 129 46.500 24.430 42.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1954 ATOM 1950 CD1 LEU 129 47.200 23.850 40.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1955 ATOM 1951 1HD1 LEU 129 46.250 23.480 40.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1956 ATOM 1952 2HD1 LEU 129 47.250 24.920 40.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1957 ATOM 1953 3HD1 LEU 129 47.900 23.220 40.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1958 ATOM 1954 CD2 LEU 129 46.630 22.340 42.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1959 ATOM 1955 1HD2 LEU 129 45.770 22.040 42.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1960 ATOM 1956 2HD2 LEU 129 47.320 21.540 42.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1961 ATOM 1957 3HD2 LEU 129 46.180 22.380 43.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1962 ATOM 1958 C LEU 129 50.960 23.880 43.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1963 ATOM 1959 O1 LEU 129 51.430 25.010 43.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1964 ATOM 1960 O2 LEU 129 51.450 22.870 44.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1965 ATOM 1961 OW SOL 130 31.960 53.900 28.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1966 ATOM 1962 HW1 SOL 130 32.730 54.280 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1967 ATOM 1963 HW2 SOL 130 31.280 54.620 28.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1968 ATOM 1964 OW SOL 131 40.410 37.400 30.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1969 ATOM 1965 HW1 SOL 131 41.370 37.290 30.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1970 ATOM 1966 HW2 SOL 131 40.350 38.030 29.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1971 ATOM 1967 OW SOL 132 39.560 24.570 46.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1972 ATOM 1968 HW1 SOL 132 38.660 24.460 46.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1973 ATOM 1969 HW2 SOL 132 40.270 24.510 47.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1974 ATOM 1970 OW SOL 133 31.440 56.540 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1975 ATOM 1971 HW1 SOL 133 31.260 55.930 26.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1976 ATOM 1972 HW2 SOL 133 30.620 57.080 27.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1977 ATOM 1973 OW SOL 134 38.020 38.580 32.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1978 ATOM 1974 HW1 SOL 134 38.990 38.460 32.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1979 ATOM 1975 HW2 SOL 134 37.920 39.270 31.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1980 ATOM 1976 OW SOL 135 38.770 49.060 26.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1981 ATOM 1977 HW1 SOL 135 38.780 50.060 26.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1982 ATOM 1978 HW2 SOL 135 38.130 48.700 25.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1983 ATOM 1979 OW SOL 136 30.190 47.030 23.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1984 ATOM 1980 HW1 SOL 136 30.940 47.440 24.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1985 ATOM 1981 HW2 SOL 136 29.880 46.200 24.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1986 ATOM 1982 OW SOL 137 50.240 28.740 35.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1987 ATOM 1983 HW1 SOL 137 49.260 28.590 34.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1988 ATOM 1984 HW2 SOL 137 50.750 28.360 34.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1989 ATOM 1985 OW SOL 138 43.530 40.410 31.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1990 ATOM 1986 HW1 SOL 138 44.500 40.160 31.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1991 ATOM 1987 HW2 SOL 138 43.310 40.790 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1992 ATOM 1988 OW SOL 139 34.270 27.920 49.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1993 ATOM 1989 HW1 SOL 139 35.110 28.050 49.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1994 ATOM 1990 HW2 SOL 139 33.530 28.440 49.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1995 ATOM 1991 OW SOL 140 39.790 22.310 29.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1996 ATOM 1992 HW1 SOL 140 40.220 23.080 28.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1997 ATOM 1993 HW2 SOL 140 39.700 21.530 28.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1998 ATOM 1994 OW SOL 141 31.810 50.850 33.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
1999 ATOM 1995 HW1 SOL 141 32.320 50.730 33.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2000 ATOM 1996 HW2 SOL 141 31.220 50.060 34.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2001 ATOM 1997 OW SOL 142 29.090 55.960 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2002 ATOM 1998 HW1 SOL 142 29.600 56.050 24.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2003 ATOM 1999 HW2 SOL 142 28.200 55.550 25.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2004 ATOM 2000 OW SOL 143 43.090 37.320 30.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2005 ATOM 2001 HW1 SOL 143 43.350 38.010 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2006 ATOM 2002 HW2 SOL 143 43.630 37.450 29.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2007 ATOM 2003 OW SOL 144 24.770 45.200 32.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2008 ATOM 2004 HW1 SOL 144 25.730 45.020 32.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2009 ATOM 2005 HW2 SOL 144 24.350 45.640 31.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2010 ATOM 2006 OW SOL 145 30.310 41.630 45.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2011 ATOM 2007 HW1 SOL 145 29.540 42.150 45.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2012 ATOM 2008 HW2 SOL 145 31.030 41.550 45.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2013 ATOM 2009 OW SOL 146 52.750 24.910 36.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2014 ATOM 2010 HW1 SOL 146 53.660 24.520 35.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2015 ATOM 2011 HW2 SOL 146 52.290 24.420 36.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2016 ATOM 2012 OW SOL 147 41.790 46.680 39.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2017 ATOM 2013 HW1 SOL 147 42.700 47.100 39.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2018 ATOM 2014 HW2 SOL 147 41.770 45.840 39.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2019 ATOM 2015 OW SOL 148 60.410 19.020 44.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2020 ATOM 2016 HW1 SOL 148 60.070 18.230 44.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2021 ATOM 2017 HW2 SOL 148 60.570 19.770 44.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2022 ATOM 2018 OW SOL 149 22.990 45.500 22.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2023 ATOM 2019 HW1 SOL 149 22.970 45.360 23.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2024 ATOM 2020 HW2 SOL 149 22.660 44.680 22.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2025 ATOM 2021 OW SOL 150 31.750 23.000 40.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2026 ATOM 2022 HW1 SOL 150 31.440 22.560 41.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2027 ATOM 2023 HW2 SOL 150 31.070 23.670 40.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2028 ATOM 2024 OW SOL 151 25.620 29.620 33.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2029 ATOM 2025 HW1 SOL 151 24.640 29.750 33.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2030 ATOM 2026 HW2 SOL 151 26.080 30.510 33.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2031 ATOM 2027 OW SOL 152 19.630 34.470 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2032 ATOM 2028 HW1 SOL 152 18.860 34.650 38.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2033 ATOM 2029 HW2 SOL 152 19.360 34.650 39.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2034 ATOM 2030 OW SOL 153 22.650 50.880 29.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2035 ATOM 2031 HW1 SOL 153 22.430 50.550 28.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2036 ATOM 2032 HW2 SOL 153 23.490 51.410 29.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2037 ATOM 2033 OW SOL 154 19.610 35.310 41.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2038 ATOM 2034 HW1 SOL 154 20.300 36.040 41.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2039 ATOM 2035 HW2 SOL 154 18.750 35.660 42.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2040 ATOM 2036 OW SOL 155 52.510 28.490 39.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2041 ATOM 2037 HW1 SOL 155 52.940 29.050 40.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2042 ATOM 2038 HW2 SOL 155 52.470 27.540 39.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2043 ATOM 2039 OW SOL 156 41.140 24.400 28.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2044 ATOM 2040 HW1 SOL 156 41.480 25.090 28.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2045 ATOM 2041 HW2 SOL 156 41.910 23.980 27.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2046 ATOM 2042 OW SOL 157 45.450 30.300 52.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2047 ATOM 2043 HW1 SOL 157 45.320 29.530 52.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2048 ATOM 2044 HW2 SOL 157 45.300 31.160 52.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2049 ATOM 2045 OW SOL 158 47.650 43.450 33.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2050 ATOM 2046 HW1 SOL 158 48.500 43.990 33.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2051 ATOM 2047 HW2 SOL 158 47.460 43.050 32.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2052 ATOM 2048 OW SOL 159 39.180 53.010 28.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2053 ATOM 2049 HW1 SOL 159 40.010 53.580 28.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2054 ATOM 2050 HW2 SOL 159 39.160 52.450 27.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2055 ATOM 2051 OW SOL 160 33.340 55.170 31.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2056 ATOM 2052 HW1 SOL 160 33.850 55.220 30.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2057 ATOM 2053 HW2 SOL 160 32.740 54.370 31.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2058 ATOM 2054 OW SOL 161 42.550 45.460 37.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2059 ATOM 2055 HW1 SOL 161 43.450 45.790 36.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2060 ATOM 2056 HW2 SOL 161 42.270 44.690 36.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2061 ATOM 2057 OW SOL 162 39.460 51.750 26.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2062 ATOM 2058 HW1 SOL 162 40.380 51.360 25.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2063 ATOM 2059 HW2 SOL 162 39.260 52.380 25.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2064 ATOM 2060 OW SOL 163 32.150 19.900 41.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2065 ATOM 2061 HW1 SOL 163 32.770 19.720 41.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2066 ATOM 2062 HW2 SOL 163 31.490 19.160 41.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2067 ATOM 2063 OW SOL 164 39.470 53.380 31.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2068 ATOM 2064 HW1 SOL 164 39.330 53.080 30.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2069 ATOM 2065 HW2 SOL 164 40.450 53.480 31.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2070 ATOM 2066 OW SOL 165 33.160 42.510 21.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2071 ATOM 2067 HW1 SOL 165 33.390 42.010 20.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2072 ATOM 2068 HW2 SOL 165 32.170 42.450 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2073 ATOM 2069 OW SOL 166 46.310 31.930 46.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2074 ATOM 2070 HW1 SOL 166 46.600 31.170 47.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2075 ATOM 2071 HW2 SOL 166 45.780 32.580 47.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2076 ATOM 2072 OW SOL 167 52.180 26.610 41.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2077 ATOM 2073 HW1 SOL 167 52.080 25.900 42.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2078 ATOM 2074 HW2 SOL 167 51.950 27.500 42.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2079 ATOM 2075 OW SOL 168 32.120 51.090 28.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2080 ATOM 2076 HW1 SOL 168 31.820 52.030 28.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2081 ATOM 2077 HW2 SOL 168 31.910 50.550 28.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2082 ATOM 2078 OW SOL 169 31.740 40.770 49.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2083 ATOM 2079 HW1 SOL 169 32.100 41.640 49.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2084 ATOM 2080 HW2 SOL 169 32.440 40.330 49.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2085 ATOM 2081 OW SOL 170 39.890 20.360 31.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2086 ATOM 2082 HW1 SOL 170 40.030 21.090 30.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2087 ATOM 2083 HW2 SOL 170 39.000 20.480 31.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2088 ATOM 2084 OW SOL 171 53.150 25.150 39.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2089 ATOM 2085 HW1 SOL 171 52.820 25.600 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2090 ATOM 2086 HW2 SOL 171 52.590 24.330 39.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2091 ATOM 2087 OW SOL 172 45.790 29.280 23.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2092 ATOM 2088 HW1 SOL 172 46.140 28.720 24.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2093 ATOM 2089 HW2 SOL 172 45.250 28.720 22.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2094 ATOM 2090 OW SOL 173 44.440 36.520 24.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2095 ATOM 2091 HW1 SOL 173 45.430 36.390 24.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2096 ATOM 2092 HW2 SOL 173 44.230 37.490 24.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2097 ATOM 2093 OW SOL 174 47.650 42.620 30.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2098 ATOM 2094 HW1 SOL 174 48.620 42.760 30.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2099 ATOM 2095 HW2 SOL 174 47.350 41.760 30.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2100 ATOM 2096 OW SOL 175 44.300 18.340 44.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2101 ATOM 2097 HW1 SOL 175 44.140 19.300 44.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2102 ATOM 2098 HW2 SOL 175 45.100 18.010 43.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2103 ATOM 2099 OW SOL 176 19.590 49.290 26.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2104 ATOM 2100 HW1 SOL 176 19.520 49.230 26.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2105 ATOM 2101 HW2 SOL 176 20.100 48.500 25.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2106 ATOM 2102 OW SOL 177 49.130 35.710 34.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2107 ATOM 2103 HW1 SOL 177 49.270 36.690 34.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2108 ATOM 2104 HW2 SOL 177 49.380 35.360 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2109 ATOM 2105 OW SOL 178 29.850 40.180 34.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2110 ATOM 2106 HW1 SOL 178 30.430 39.950 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2111 ATOM 2107 HW2 SOL 178 28.910 39.920 34.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2112 ATOM 2108 OW SOL 179 30.810 26.790 46.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2113 ATOM 2109 HW1 SOL 179 31.340 26.180 47.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2114 ATOM 2110 HW2 SOL 179 31.440 27.360 46.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2115 ATOM 2111 OW SOL 180 49.100 20.680 37.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2116 ATOM 2112 HW1 SOL 180 49.310 21.590 36.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2117 ATOM 2113 HW2 SOL 180 48.720 20.110 36.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2118 ATOM 2114 OW SOL 181 19.390 26.940 39.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2119 ATOM 2115 HW1 SOL 181 18.630 26.430 40.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2120 ATOM 2116 HW2 SOL 181 20.210 26.820 40.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2121 ATOM 2117 OW SOL 182 26.690 41.230 36.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2122 ATOM 2118 HW1 SOL 182 26.610 40.240 36.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2123 ATOM 2119 HW2 SOL 182 26.490 41.420 35.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2124 ATOM 2120 OW SOL 183 30.060 27.290 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2125 ATOM 2121 HW1 SOL 183 30.560 27.870 27.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2126 ATOM 2122 HW2 SOL 183 29.500 27.870 26.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2127 ATOM 2123 OW SOL 184 33.030 42.830 50.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2128 ATOM 2124 HW1 SOL 184 32.520 42.990 51.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2129 ATOM 2125 HW2 SOL 184 33.360 43.700 50.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2130 ATOM 2126 OW SOL 185 31.170 49.010 43.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2131 ATOM 2127 HW1 SOL 185 30.890 48.240 44.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2132 ATOM 2128 HW2 SOL 185 30.510 49.140 43.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2133 ATOM 2129 OW SOL 186 43.660 44.140 43.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2134 ATOM 2130 HW1 SOL 186 43.720 44.930 43.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2135 ATOM 2131 HW2 SOL 186 42.770 44.150 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2136 ATOM 2132 OW SOL 187 29.270 37.130 34.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2137 ATOM 2133 HW1 SOL 187 29.400 36.150 34.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2138 ATOM 2134 HW2 SOL 187 30.020 37.520 33.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2139 ATOM 2135 OW SOL 188 22.550 29.280 43.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2140 ATOM 2136 HW1 SOL 188 23.400 28.950 42.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2141 ATOM 2137 HW2 SOL 188 21.850 29.360 42.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2142 ATOM 2138 OW SOL 189 30.250 42.060 21.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2143 ATOM 2139 HW1 SOL 189 29.950 42.990 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2144 ATOM 2140 HW2 SOL 189 29.620 41.640 20.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2145 ATOM 2141 OW SOL 190 24.720 49.020 22.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2146 ATOM 2142 HW1 SOL 190 24.530 49.990 22.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2147 ATOM 2143 HW2 SOL 190 23.980 48.580 21.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2148 ATOM 2144 OW SOL 191 24.750 25.960 42.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2149 ATOM 2145 HW1 SOL 191 24.980 25.920 43.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2150 ATOM 2146 HW2 SOL 191 24.390 26.860 41.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2151 ATOM 2147 OW SOL 192 24.810 59.190 27.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2152 ATOM 2148 HW1 SOL 192 24.400 59.750 28.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2153 ATOM 2149 HW2 SOL 192 24.310 58.330 27.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2154 ATOM 2150 OW SOL 193 25.750 41.910 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2155 ATOM 2151 HW1 SOL 193 26.450 41.190 32.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2156 ATOM 2152 HW2 SOL 193 25.930 42.400 32.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2157 ATOM 2153 OW SOL 194 36.540 56.230 33.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2158 ATOM 2154 HW1 SOL 194 35.550 56.350 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2159 ATOM 2155 HW2 SOL 194 36.970 57.110 33.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2160 ATOM 2156 OW SOL 195 38.370 25.020 26.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2161 ATOM 2157 HW1 SOL 195 37.800 25.820 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2162 ATOM 2158 HW2 SOL 195 39.310 25.200 27.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2163 ATOM 2159 OW SOL 196 30.580 56.590 39.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2164 ATOM 2160 HW1 SOL 196 30.760 56.740 38.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2165 ATOM 2161 HW2 SOL 196 31.350 56.920 40.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2166 ATOM 2162 OW SOL 197 49.420 33.040 29.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2167 ATOM 2163 HW1 SOL 197 49.820 33.100 30.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2168 ATOM 2164 HW2 SOL 197 48.810 33.820 29.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2169 ATOM 2165 OW SOL 198 21.200 42.550 30.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2170 ATOM 2166 HW1 SOL 198 21.180 42.990 31.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2171 ATOM 2167 HW2 SOL 198 20.360 42.780 29.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2172 ATOM 2168 OW SOL 199 26.880 23.190 32.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2173 ATOM 2169 HW1 SOL 199 25.890 23.090 32.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2174 ATOM 2170 HW2 SOL 199 27.310 22.320 32.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2175 ATOM 2171 OW SOL 200 35.090 49.500 21.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2176 ATOM 2172 HW1 SOL 200 34.730 49.660 22.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2177 ATOM 2173 HW2 SOL 200 35.660 50.270 21.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2178 ATOM 2174 OW SOL 201 32.520 48.200 46.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2179 ATOM 2175 HW1 SOL 201 32.450 49.180 46.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2180 ATOM 2176 HW2 SOL 201 31.610 47.820 46.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2181 ATOM 2177 OW SOL 202 31.910 37.620 52.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2182 ATOM 2178 HW1 SOL 202 31.450 37.970 51.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2183 ATOM 2179 HW2 SOL 202 32.610 36.960 52.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2184 ATOM 2180 OW SOL 203 20.760 33.400 43.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2185 ATOM 2181 HW1 SOL 203 20.380 33.640 42.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2186 ATOM 2182 HW2 SOL 203 21.360 34.130 43.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2187 ATOM 2183 OW SOL 204 27.250 33.530 32.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2188 ATOM 2184 HW1 SOL 204 26.980 34.000 33.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2189 ATOM 2185 HW2 SOL 204 28.200 33.740 32.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2190 ATOM 2186 OW SOL 205 37.280 47.730 24.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2191 ATOM 2187 HW1 SOL 205 36.970 46.790 24.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2192 ATOM 2188 HW2 SOL 205 37.680 47.970 23.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2193 ATOM 2189 OW SOL 206 44.910 22.010 47.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2194 ATOM 2190 HW1 SOL 206 44.210 21.300 47.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2195 ATOM 2191 HW2 SOL 206 45.040 22.440 48.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2196 ATOM 2192 OW SOL 207 50.890 38.110 43.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2197 ATOM 2193 HW1 SOL 207 51.460 38.150 44.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2198 ATOM 2194 HW2 SOL 207 50.590 37.170 43.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2199 ATOM 2195 OW SOL 208 3.140 3.950 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2200 ATOM 2196 HW1 SOL 208 2.370 4.020 71.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2201 ATOM 2197 HW2 SOL 208 3.910 3.520 71.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2202 ATOM 2198 OW SOL 209 0.310 0.410 11.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2203 ATOM 2199 HW1 SOL 209 1.000 0.800 12.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2204 ATOM 2200 HW2 SOL 209 0.750 -0.070 11.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2205 ATOM 2201 OW SOL 210 70.470 5.720 5.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2206 ATOM 2202 HW1 SOL 210 69.560 5.640 5.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2207 ATOM 2203 HW2 SOL 210 70.530 5.190 6.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2208 ATOM 2204 OW SOL 211 5.580 11.920 10.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2209 ATOM 2205 HW1 SOL 211 4.770 12.090 10.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2210 ATOM 2206 HW2 SOL 211 5.580 12.540 11.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2211 ATOM 2207 OW SOL 212 15.510 15.530 6.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2212 ATOM 2208 HW1 SOL 212 15.220 14.780 7.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2213 ATOM 2209 HW2 SOL 212 14.970 16.340 6.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2214 ATOM 2210 OW SOL 213 10.790 5.930 6.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2215 ATOM 2211 HW1 SOL 213 11.710 6.020 6.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2216 ATOM 2212 HW2 SOL 213 10.150 5.630 6.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2217 ATOM 2213 OW SOL 214 18.550 4.020 0.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2218 ATOM 2214 HW1 SOL 214 18.100 4.830 0.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2219 ATOM 2215 HW2 SOL 214 17.900 3.490 1.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2220 ATOM 2216 OW SOL 215 8.240 12.850 10.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2221 ATOM 2217 HW1 SOL 215 7.480 12.510 10.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2222 ATOM 2218 HW2 SOL 215 8.030 12.750 9.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2223 ATOM 2219 OW SOL 216 8.490 8.080 18.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2224 ATOM 2220 HW1 SOL 216 7.530 8.320 19.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2225 ATOM 2221 HW2 SOL 216 8.710 8.050 17.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2226 ATOM 2222 OW SOL 217 7.210 7.810 6.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2227 ATOM 2223 HW1 SOL 217 7.280 7.520 7.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2228 ATOM 2224 HW2 SOL 217 6.560 8.570 6.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2229 ATOM 2225 OW SOL 218 7.300 12.920 18.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2230 ATOM 2226 HW1 SOL 218 8.170 13.400 18.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2231 ATOM 2227 HW2 SOL 218 6.960 13.000 17.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2232 ATOM 2228 OW SOL 219 5.310 14.730 9.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2233 ATOM 2229 HW1 SOL 219 4.860 14.760 9.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2234 ATOM 2230 HW2 SOL 219 6.100 15.350 9.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2235 ATOM 2231 OW SOL 220 14.800 16.160 13.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2236 ATOM 2232 HW1 SOL 220 15.620 16.560 13.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2237 ATOM 2233 HW2 SOL 220 14.420 16.780 14.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2238 ATOM 2234 OW SOL 221 2.380 2.580 18.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2239 ATOM 2235 HW1 SOL 221 2.870 2.180 18.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2240 ATOM 2236 HW2 SOL 221 2.150 1.850 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2241 ATOM 2237 OW SOL 222 13.110 5.890 7.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2242 ATOM 2238 HW1 SOL 222 13.890 5.280 7.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2243 ATOM 2239 HW2 SOL 222 13.340 6.550 8.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2244 ATOM 2240 OW SOL 223 4.430 15.930 3.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2245 ATOM 2241 HW1 SOL 223 4.430 16.910 3.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2246 ATOM 2242 HW2 SOL 223 3.580 15.690 3.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2247 ATOM 2243 OW SOL 224 9.610 12.710 15.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2248 ATOM 2244 HW1 SOL 224 10.560 12.790 15.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2249 ATOM 2245 HW2 SOL 224 9.530 12.030 16.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2250 ATOM 2246 OW SOL 225 4.460 13.340 4.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2251 ATOM 2247 HW1 SOL 225 4.470 14.260 4.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2252 ATOM 2248 HW2 SOL 225 3.550 13.140 5.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2253 ATOM 2249 OW SOL 226 4.380 9.570 8.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2254 ATOM 2250 HW1 SOL 226 4.670 8.660 8.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2255 ATOM 2251 HW2 SOL 226 3.460 9.740 9.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2256 ATOM 2252 OW SOL 227 6.740 18.010 14.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2257 ATOM 2253 HW1 SOL 227 5.760 18.030 15.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2258 ATOM 2254 HW2 SOL 227 7.100 18.940 14.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2259 ATOM 2255 OW SOL 228 5.460 7.160 1.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2260 ATOM 2256 HW1 SOL 228 5.880 6.780 0.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2261 ATOM 2257 HW2 SOL 228 6.170 7.480 2.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2262 ATOM 2258 OW SOL 229 16.010 71.560 15.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2263 ATOM 2259 HW1 SOL 229 16.050 72.340 14.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2264 ATOM 2260 HW2 SOL 229 15.920 71.890 15.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2265 ATOM 2261 OW SOL 230 0.290 6.830 5.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2266 ATOM 2262 HW1 SOL 230 -0.520 6.250 5.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2267 ATOM 2263 HW2 SOL 230 0.590 7.020 6.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2268 ATOM 2264 OW SOL 231 19.270 17.130 2.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2269 ATOM 2265 HW1 SOL 231 20.130 17.460 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2270 ATOM 2266 HW2 SOL 231 18.970 17.750 2.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2271 ATOM 2267 OW SOL 232 0.820 15.740 0.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2272 ATOM 2268 HW1 SOL 232 0.390 14.890 0.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2273 ATOM 2269 HW2 SOL 232 1.010 15.690 1.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2274 ATOM 2270 OW SOL 233 15.590 5.170 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2275 ATOM 2271 HW1 SOL 233 15.210 5.080 6.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2276 ATOM 2272 HW2 SOL 233 16.580 5.090 6.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2277 ATOM 2273 OW SOL 234 16.860 7.110 2.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2278 ATOM 2274 HW1 SOL 234 17.360 6.610 1.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2279 ATOM 2275 HW2 SOL 234 16.850 8.080 2.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2280 ATOM 2276 OW SOL 235 2.790 4.740 16.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2281 ATOM 2277 HW1 SOL 235 3.430 5.350 16.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2282 ATOM 2278 HW2 SOL 235 2.750 3.870 16.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2283 ATOM 2279 OW SOL 236 6.650 12.050 5.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2284 ATOM 2280 HW1 SOL 236 6.530 11.080 5.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2285 ATOM 2281 HW2 SOL 236 5.760 12.490 5.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2286 ATOM 2282 OW SOL 237 12.210 13.020 14.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2287 ATOM 2283 HW1 SOL 237 12.430 12.220 14.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2288 ATOM 2284 HW2 SOL 237 13.040 13.380 15.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2289 ATOM 2285 OW SOL 238 11.190 71.370 6.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2290 ATOM 2286 HW1 SOL 238 10.710 72.130 5.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2291 ATOM 2287 HW2 SOL 238 11.890 71.720 6.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2292 ATOM 2288 OW SOL 239 2.050 8.660 10.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2293 ATOM 2289 HW1 SOL 239 2.490 8.800 11.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2294 ATOM 2290 HW2 SOL 239 1.810 7.700 10.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2295 ATOM 2291 OW SOL 240 13.790 10.010 0.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2296 ATOM 2292 HW1 SOL 240 13.070 10.020 0.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2297 ATOM 2293 HW2 SOL 240 14.170 10.930 -0.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2298 ATOM 2294 OW SOL 241 10.510 17.300 15.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2299 ATOM 2295 HW1 SOL 241 11.140 18.060 15.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2300 ATOM 2296 HW2 SOL 241 10.660 16.590 14.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2301 ATOM 2297 OW SOL 242 2.080 3.740 22.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2302 ATOM 2298 HW1 SOL 242 1.880 2.890 21.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2303 ATOM 2299 HW2 SOL 242 2.610 4.340 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2304 ATOM 2300 OW SOL 243 14.950 13.390 8.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2305 ATOM 2301 HW1 SOL 243 14.110 13.140 9.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2306 ATOM 2302 HW2 SOL 243 15.260 12.620 8.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2307 ATOM 2303 OW SOL 244 17.620 17.780 5.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2308 ATOM 2304 HW1 SOL 244 17.130 16.900 5.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2309 ATOM 2305 HW2 SOL 244 18.420 17.690 4.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2310 ATOM 2306 OW SOL 245 3.960 5.120 2.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2311 ATOM 2307 HW1 SOL 245 4.360 5.970 2.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2312 ATOM 2308 HW2 SOL 245 4.120 5.040 3.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2313 ATOM 2309 OW SOL 246 11.650 2.960 9.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2314 ATOM 2310 HW1 SOL 246 11.150 2.190 9.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2315 ATOM 2311 HW2 SOL 246 12.210 3.400 9.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2316 ATOM 2312 OW SOL 247 15.610 15.840 3.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2317 ATOM 2313 HW1 SOL 247 15.380 15.510 4.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2318 ATOM 2314 HW2 SOL 247 14.800 16.250 3.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2319 ATOM 2315 OW SOL 248 9.290 5.700 14.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2320 ATOM 2316 HW1 SOL 248 10.240 5.860 14.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2321 ATOM 2317 HW2 SOL 248 9.240 4.910 13.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2322 ATOM 2318 OW SOL 249 14.880 5.550 14.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2323 ATOM 2319 HW1 SOL 249 14.680 6.100 15.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2324 ATOM 2320 HW2 SOL 249 15.410 4.750 14.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2325 ATOM 2321 OW SOL 250 9.050 8.510 16.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2326 ATOM 2322 HW1 SOL 250 9.350 7.710 15.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2327 ATOM 2323 HW2 SOL 250 8.350 9.000 15.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2328 ATOM 2324 OW SOL 251 9.240 3.910 11.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2329 ATOM 2325 HW1 SOL 251 8.310 4.270 11.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2330 ATOM 2326 HW2 SOL 251 9.290 3.170 11.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2331 ATOM 2327 OW SOL 252 10.250 5.650 3.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2332 ATOM 2328 HW1 SOL 252 10.310 5.780 4.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2333 ATOM 2329 HW2 SOL 252 9.450 5.090 3.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2334 ATOM 2330 OW SOL 253 1.640 7.190 7.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2335 ATOM 2331 HW1 SOL 253 1.970 6.780 8.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2336 ATOM 2332 HW2 SOL 253 1.310 8.120 8.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2337 ATOM 2333 OW SOL 254 1.370 21.520 17.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2338 ATOM 2334 HW1 SOL 254 0.480 21.970 17.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2339 ATOM 2335 HW2 SOL 254 1.230 20.540 17.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2340 ATOM 2336 OW SOL 255 7.050 72.240 3.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2341 ATOM 2337 HW1 SOL 255 6.780 72.140 2.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2342 ATOM 2338 HW2 SOL 255 7.660 71.480 3.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2343 ATOM 2339 OW SOL 256 14.340 7.070 16.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2344 ATOM 2340 HW1 SOL 256 13.680 7.760 16.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2345 ATOM 2341 HW2 SOL 256 15.110 7.050 17.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2346 ATOM 2342 OW SOL 257 12.750 6.810 3.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2347 ATOM 2343 HW1 SOL 257 11.860 6.410 3.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2348 ATOM 2344 HW2 SOL 257 12.890 6.760 2.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2349 ATOM 2345 OW SOL 258 4.390 2.350 10.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2350 ATOM 2346 HW1 SOL 258 4.150 2.370 11.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2351 ATOM 2347 HW2 SOL 258 4.310 3.270 9.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2352 ATOM 2348 OW SOL 259 8.950 12.950 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2353 ATOM 2349 HW1 SOL 259 8.060 12.540 4.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2354 ATOM 2350 HW2 SOL 259 9.650 12.530 4.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2355 ATOM 2351 OW SOL 260 5.070 17.280 7.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2356 ATOM 2352 HW1 SOL 260 5.400 16.360 7.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2357 ATOM 2353 HW2 SOL 260 5.680 17.690 8.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2358 ATOM 2354 OW SOL 261 17.580 11.420 9.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2359 ATOM 2355 HW1 SOL 261 17.220 11.550 8.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2360 ATOM 2356 HW2 SOL 261 16.850 11.130 9.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2361 ATOM 2357 OW SOL 262 10.670 15.160 13.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2362 ATOM 2358 HW1 SOL 262 11.010 14.300 14.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2363 ATOM 2359 HW2 SOL 262 11.200 15.400 13.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2364 ATOM 2360 OW SOL 263 3.040 8.440 1.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2365 ATOM 2361 HW1 SOL 263 3.930 7.980 1.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2366 ATOM 2362 HW2 SOL 263 2.370 7.940 2.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2367 ATOM 2363 OW SOL 264 15.640 8.550 6.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2368 ATOM 2364 HW1 SOL 264 15.790 7.580 6.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2369 ATOM 2365 HW2 SOL 264 16.000 8.760 5.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2370 ATOM 2366 OW SOL 265 4.400 14.490 17.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2371 ATOM 2367 HW1 SOL 265 5.190 14.190 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2372 ATOM 2368 HW2 SOL 265 3.870 15.150 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2373 ATOM 2369 OW SOL 266 12.710 16.990 0.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2374 ATOM 2370 HW1 SOL 266 12.290 16.950 1.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2375 ATOM 2371 HW2 SOL 266 12.130 16.520 -0.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2376 ATOM 2372 OW SOL 267 1.890 0.230 16.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2377 ATOM 2373 HW1 SOL 267 2.490 -0.560 16.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2378 ATOM 2374 HW2 SOL 267 0.950 -0.080 16.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2379 ATOM 2375 OW SOL 268 16.170 9.890 1.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2380 ATOM 2376 HW1 SOL 268 15.340 9.600 2.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2381 ATOM 2377 HW2 SOL 268 16.110 9.600 0.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2382 ATOM 2378 OW SOL 269 3.110 16.760 0.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2383 ATOM 2379 HW1 SOL 269 3.500 16.090 -0.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2384 ATOM 2380 HW2 SOL 269 2.170 16.520 0.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2385 ATOM 2381 OW SOL 270 13.280 0.420 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2386 ATOM 2382 HW1 SOL 270 13.770 -0.130 2.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2387 ATOM 2383 HW2 SOL 270 13.920 1.030 3.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2388 ATOM 2384 OW SOL 271 2.340 15.180 12.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2389 ATOM 2385 HW1 SOL 271 3.260 14.770 12.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2390 ATOM 2386 HW2 SOL 271 1.760 14.630 12.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2391 ATOM 2387 OW SOL 272 9.080 16.650 7.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2392 ATOM 2388 HW1 SOL 272 9.990 16.250 7.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2393 ATOM 2389 HW2 SOL 272 8.630 16.240 6.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2394 ATOM 2390 OW SOL 273 3.350 5.550 6.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2395 ATOM 2391 HW1 SOL 273 2.840 4.760 5.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2396 ATOM 2392 HW2 SOL 273 2.800 6.370 6.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2397 ATOM 2393 OW SOL 274 15.410 0.290 17.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2398 ATOM 2394 HW1 SOL 274 15.380 0.500 18.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2399 ATOM 2395 HW2 SOL 274 14.520 -0.070 16.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2400 ATOM 2396 OW SOL 275 2.340 1.620 1.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2401 ATOM 2397 HW1 SOL 275 2.110 2.590 1.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2402 ATOM 2398 HW2 SOL 275 2.520 1.200 0.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2403 ATOM 2399 OW SOL 276 6.560 2.300 17.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2404 ATOM 2400 HW1 SOL 276 7.490 2.220 17.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2405 ATOM 2401 HW2 SOL 276 5.960 1.650 18.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2406 ATOM 2402 OW SOL 277 7.750 14.550 12.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2407 ATOM 2403 HW1 SOL 277 8.000 14.700 11.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2408 ATOM 2404 HW2 SOL 277 8.570 14.270 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2409 ATOM 2405 OW SOL 278 14.050 7.050 12.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2410 ATOM 2406 HW1 SOL 278 14.570 6.420 12.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2411 ATOM 2407 HW2 SOL 278 14.560 7.900 12.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2412 ATOM 2408 OW SOL 279 8.170 12.020 7.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2413 ATOM 2409 HW1 SOL 279 9.060 12.390 7.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2414 ATOM 2410 HW2 SOL 279 7.520 12.180 6.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2415 ATOM 2411 OW SOL 280 9.590 4.870 8.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2416 ATOM 2412 HW1 SOL 280 8.960 4.200 7.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2417 ATOM 2413 HW2 SOL 280 10.410 4.400 8.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2418 ATOM 2414 OW SOL 281 5.110 1.190 6.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2419 ATOM 2415 HW1 SOL 281 6.070 1.210 5.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2420 ATOM 2416 HW2 SOL 281 4.530 1.420 5.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2421 ATOM 2417 OW SOL 282 11.880 9.690 1.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2422 ATOM 2418 HW1 SOL 282 12.580 10.040 2.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2423 ATOM 2419 HW2 SOL 282 11.030 10.200 2.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2424 ATOM 2420 OW SOL 283 4.260 71.860 3.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2425 ATOM 2421 HW1 SOL 283 5.200 72.070 3.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2426 ATOM 2422 HW2 SOL 283 3.640 72.530 4.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2427 ATOM 2423 OW SOL 284 8.280 1.380 5.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2428 ATOM 2424 HW1 SOL 284 7.660 1.200 4.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2429 ATOM 2425 HW2 SOL 284 9.210 1.510 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2430 ATOM 2426 OW SOL 285 11.100 7.980 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2431 ATOM 2427 HW1 SOL 285 10.400 7.460 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2432 ATOM 2428 HW2 SOL 285 12.010 7.650 13.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2433 ATOM 2429 OW SOL 286 11.960 15.170 7.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2434 ATOM 2430 HW1 SOL 286 12.330 15.750 6.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2435 ATOM 2431 HW2 SOL 286 12.300 15.500 7.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2436 ATOM 2432 OW SOL 287 5.490 9.800 6.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2437 ATOM 2433 HW1 SOL 287 5.500 9.770 7.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2438 ATOM 2434 HW2 SOL 287 4.570 9.580 5.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2439 ATOM 2435 OW SOL 288 13.180 17.350 5.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2440 ATOM 2436 HW1 SOL 288 13.900 17.720 5.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2441 ATOM 2437 HW2 SOL 288 12.310 17.790 5.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2442 ATOM 2438 OW SOL 289 8.290 3.560 0.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2443 ATOM 2439 HW1 SOL 289 8.810 4.240 -0.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2444 ATOM 2440 HW2 SOL 289 8.900 3.100 1.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2445 ATOM 2441 OW SOL 290 70.810 5.860 15.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2446 ATOM 2442 HW1 SOL 290 70.800 6.850 15.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2447 ATOM 2443 HW2 SOL 290 70.330 5.430 14.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2448 ATOM 2444 OW SOL 291 4.160 2.780 12.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2449 ATOM 2445 HW1 SOL 291 4.950 2.540 13.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2450 ATOM 2446 HW2 SOL 291 3.380 2.230 13.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2451 ATOM 2447 OW SOL 292 7.890 3.290 7.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2452 ATOM 2448 HW1 SOL 292 7.250 3.970 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2453 ATOM 2449 HW2 SOL 292 7.920 2.510 6.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2454 ATOM 2450 OW SOL 293 7.250 2.380 9.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2455 ATOM 2451 HW1 SOL 293 7.340 2.740 8.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2456 ATOM 2452 HW2 SOL 293 6.280 2.250 9.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2457 ATOM 2453 OW SOL 294 15.740 11.470 7.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2458 ATOM 2454 HW1 SOL 294 15.500 10.530 6.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2459 ATOM 2455 HW2 SOL 294 15.980 11.970 6.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2460 ATOM 2456 OW SOL 295 14.250 7.450 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2461 ATOM 2457 HW1 SOL 295 13.660 7.200 10.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2462 ATOM 2458 HW2 SOL 295 15.200 7.250 9.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2463 ATOM 2459 OW SOL 296 18.970 7.070 4.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2464 ATOM 2460 HW1 SOL 296 18.970 6.410 5.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2465 ATOM 2461 HW2 SOL 296 18.100 7.000 3.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2466 ATOM 2462 OW SOL 297 6.060 12.090 2.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2467 ATOM 2463 HW1 SOL 297 6.040 12.210 3.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2468 ATOM 2464 HW2 SOL 297 6.610 11.290 2.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2469 ATOM 2465 OW SOL 298 17.240 10.280 4.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2470 ATOM 2466 HW1 SOL 298 18.000 9.870 4.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2471 ATOM 2467 HW2 SOL 298 17.080 11.200 4.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2472 ATOM 2468 OW SOL 299 12.800 3.190 0.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2473 ATOM 2469 HW1 SOL 299 12.320 2.940 0.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2474 ATOM 2470 HW2 SOL 299 13.570 2.570 1.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2475 ATOM 2471 OW SOL 300 3.730 2.010 4.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2476 ATOM 2472 HW1 SOL 300 3.790 1.900 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2477 ATOM 2473 HW2 SOL 300 2.850 2.430 4.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2478 ATOM 2474 OW SOL 301 17.210 13.290 13.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2479 ATOM 2475 HW1 SOL 301 17.980 12.650 13.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2480 ATOM 2476 HW2 SOL 301 17.380 13.920 14.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2481 ATOM 2477 OW SOL 302 8.800 11.590 13.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2482 ATOM 2478 HW1 SOL 302 8.910 11.970 14.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2483 ATOM 2479 HW2 SOL 302 9.610 11.040 13.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2484 ATOM 2480 OW SOL 303 16.080 17.280 17.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2485 ATOM 2481 HW1 SOL 303 16.330 16.470 16.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2486 ATOM 2482 HW2 SOL 303 16.880 17.630 17.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2487 ATOM 2483 OW SOL 304 10.560 11.420 10.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2488 ATOM 2484 HW1 SOL 304 9.840 12.080 10.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2489 ATOM 2485 HW2 SOL 304 10.430 10.590 10.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2490 ATOM 2486 OW SOL 305 15.670 11.160 11.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2491 ATOM 2487 HW1 SOL 305 15.290 11.940 11.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2492 ATOM 2488 HW2 SOL 305 14.990 10.780 10.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2493 ATOM 2489 OW SOL 306 8.990 0.680 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2494 ATOM 2490 HW1 SOL 306 8.850 0.100 13.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2495 ATOM 2491 HW2 SOL 306 9.660 1.390 13.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2496 ATOM 2492 OW SOL 307 9.180 10.820 17.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2497 ATOM 2493 HW1 SOL 307 8.930 10.950 18.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2498 ATOM 2494 HW2 SOL 307 8.820 9.940 17.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2499 ATOM 2495 OW SOL 308 7.480 7.880 3.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2500 ATOM 2496 HW1 SOL 308 7.470 7.920 4.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2501 ATOM 2497 HW2 SOL 308 8.410 7.680 3.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2502 ATOM 2498 OW SOL 309 3.600 8.250 12.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2503 ATOM 2499 HW1 SOL 309 3.480 8.730 13.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2504 ATOM 2500 HW2 SOL 309 3.410 7.270 13.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2505 ATOM 2501 OW SOL 310 12.810 4.550 11.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2506 ATOM 2502 HW1 SOL 310 13.070 5.500 11.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2507 ATOM 2503 HW2 SOL 310 12.490 4.160 12.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2508 ATOM 2504 OW SOL 311 0.760 18.680 17.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2509 ATOM 2505 HW1 SOL 311 0.150 18.480 16.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2510 ATOM 2506 HW2 SOL 311 1.160 17.830 17.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2511 ATOM 2507 OW SOL 312 3.210 8.700 5.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2512 ATOM 2508 HW1 SOL 312 2.380 8.540 5.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2513 ATOM 2509 HW2 SOL 312 3.060 8.440 4.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2514 ATOM 2510 OW SOL 313 4.280 4.800 8.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2515 ATOM 2511 HW1 SOL 313 4.120 4.690 7.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2516 ATOM 2512 HW2 SOL 313 4.750 5.670 9.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2517 ATOM 2513 OW SOL 314 13.740 10.670 3.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2518 ATOM 2514 HW1 SOL 314 14.080 11.610 3.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2519 ATOM 2515 HW2 SOL 314 13.970 10.150 4.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2520 ATOM 2516 OW SOL 315 12.970 12.910 10.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2521 ATOM 2517 HW1 SOL 315 13.650 12.780 11.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2522 ATOM 2518 HW2 SOL 315 12.230 12.240 10.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2523 ATOM 2519 OW SOL 316 15.240 2.300 4.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2524 ATOM 2520 HW1 SOL 316 14.820 3.210 4.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2525 ATOM 2521 HW2 SOL 316 15.440 2.070 5.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2526 ATOM 2522 OW SOL 317 4.810 14.180 12.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2527 ATOM 2523 HW1 SOL 317 5.000 14.460 11.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2528 ATOM 2524 HW2 SOL 317 5.440 14.640 13.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2529 ATOM 2525 OW SOL 318 4.490 7.040 16.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2530 ATOM 2526 HW1 SOL 318 5.230 6.880 16.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2531 ATOM 2527 HW2 SOL 318 4.870 7.490 17.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2532 ATOM 2528 OW SOL 319 15.620 10.250 17.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2533 ATOM 2529 HW1 SOL 319 15.050 10.340 16.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2534 ATOM 2530 HW2 SOL 319 16.140 9.400 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2535 ATOM 2531 OW SOL 320 11.130 1.670 17.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2536 ATOM 2532 HW1 SOL 320 11.590 2.520 17.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2537 ATOM 2533 HW2 SOL 320 11.100 1.050 16.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2538 ATOM 2534 OW SOL 321 5.240 72.050 17.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2539 ATOM 2535 HW1 SOL 321 4.460 71.440 17.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2540 ATOM 2536 HW2 SOL 321 5.820 72.050 16.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2541 ATOM 2537 OW SOL 322 5.840 8.910 11.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2542 ATOM 2538 HW1 SOL 322 5.880 9.840 10.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2543 ATOM 2539 HW2 SOL 322 5.130 8.870 12.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2544 ATOM 2540 OW SOL 323 13.840 10.130 9.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2545 ATOM 2541 HW1 SOL 323 13.030 10.420 9.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2546 ATOM 2542 HW2 SOL 323 14.050 9.180 9.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2547 ATOM 2543 OW SOL 324 10.120 2.570 2.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2548 ATOM 2544 HW1 SOL 324 10.040 2.430 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2549 ATOM 2545 HW2 SOL 324 11.090 2.640 1.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2550 ATOM 2546 OW SOL 325 2.420 0.870 13.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2551 ATOM 2547 HW1 SOL 325 2.210 1.030 14.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2552 ATOM 2548 HW2 SOL 325 2.950 0.030 13.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2553 ATOM 2549 OW SOL 326 0.460 14.180 10.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2554 ATOM 2550 HW1 SOL 326 0.210 13.800 11.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2555 ATOM 2551 HW2 SOL 326 0.930 13.480 9.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2556 ATOM 2552 OW SOL 327 5.670 6.920 9.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2557 ATOM 2553 HW1 SOL 327 6.620 6.870 9.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2558 ATOM 2554 HW2 SOL 327 5.610 7.530 10.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2559 ATOM 2555 OW SOL 328 18.840 11.910 18.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2560 ATOM 2556 HW1 SOL 328 17.880 11.700 18.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2561 ATOM 2557 HW2 SOL 328 19.410 11.480 19.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2562 ATOM 2558 OW SOL 329 2.210 2.020 8.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2563 ATOM 2559 HW1 SOL 329 1.540 2.070 9.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2564 ATOM 2560 HW2 SOL 329 3.110 2.270 8.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2565 ATOM 2561 OW SOL 330 17.160 2.290 2.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2566 ATOM 2562 HW1 SOL 330 18.020 2.270 2.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2567 ATOM 2563 HW2 SOL 330 16.400 2.400 3.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2568 ATOM 2564 OW SOL 331 8.290 7.320 8.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2569 ATOM 2565 HW1 SOL 331 8.320 7.480 9.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2570 ATOM 2566 HW2 SOL 331 8.660 6.420 8.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2571 ATOM 2567 OW SOL 332 11.580 15.050 17.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2572 ATOM 2568 HW1 SOL 332 11.140 15.660 16.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2573 ATOM 2569 HW2 SOL 332 12.440 14.700 16.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2574 ATOM 2570 OW SOL 333 18.000 15.040 15.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2575 ATOM 2571 HW1 SOL 333 18.620 15.680 15.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2576 ATOM 2572 HW2 SOL 333 18.360 14.770 16.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2577 ATOM 2573 OW SOL 334 3.230 9.130 15.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2578 ATOM 2574 HW1 SOL 334 3.880 9.890 15.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2579 ATOM 2575 HW2 SOL 334 3.550 8.340 16.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2580 ATOM 2576 OW SOL 335 15.330 1.830 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2581 ATOM 2577 HW1 SOL 335 14.930 0.920 0.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2582 ATOM 2578 HW2 SOL 335 15.980 1.960 1.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2583 ATOM 2579 OW SOL 336 14.980 7.700 0.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2584 ATOM 2580 HW1 SOL 336 14.330 7.000 0.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2585 ATOM 2581 HW2 SOL 336 14.510 8.590 0.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2586 ATOM 2582 OW SOL 337 10.600 12.550 6.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2587 ATOM 2583 HW1 SOL 337 11.200 11.800 6.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2588 ATOM 2584 HW2 SOL 337 11.030 13.430 6.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2589 ATOM 2585 OW SOL 338 2.040 5.990 10.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2590 ATOM 2586 HW1 SOL 338 2.900 5.480 10.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2591 ATOM 2587 HW2 SOL 338 1.310 5.390 10.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2592 ATOM 2588 OW SOL 339 71.940 4.510 9.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2593 ATOM 2589 HW1 SOL 339 71.850 4.310 8.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2594 ATOM 2590 HW2 SOL 339 71.680 5.460 10.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2595 ATOM 2591 OW SOL 340 12.140 4.860 14.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2596 ATOM 2592 HW1 SOL 340 12.130 4.760 15.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2597 ATOM 2593 HW2 SOL 340 13.080 5.050 14.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2598 ATOM 2594 OW SOL 341 10.960 2.480 13.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2599 ATOM 2595 HW1 SOL 341 11.270 3.090 14.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2600 ATOM 2596 HW2 SOL 341 10.560 3.020 12.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2601 ATOM 2597 OW SOL 342 0.270 13.370 3.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2602 ATOM 2598 HW1 SOL 342 -0.330 13.490 4.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2603 ATOM 2599 HW2 SOL 342 0.340 12.400 3.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2604 ATOM 2600 OW SOL 343 2.610 18.080 7.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2605 ATOM 2601 HW1 SOL 343 2.090 17.260 6.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2606 ATOM 2602 HW2 SOL 343 3.580 17.850 7.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2607 ATOM 2603 OW SOL 344 5.920 14.920 6.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2608 ATOM 2604 HW1 SOL 344 6.050 13.930 6.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2609 ATOM 2605 HW2 SOL 344 6.200 15.240 5.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2610 ATOM 2606 OW SOL 345 8.270 7.730 11.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2611 ATOM 2607 HW1 SOL 345 7.450 8.300 11.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2612 ATOM 2608 HW2 SOL 345 8.080 6.880 12.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2613 ATOM 2609 OW SOL 346 71.060 2.590 11.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2614 ATOM 2610 HW1 SOL 346 71.730 1.850 11.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2615 ATOM 2611 HW2 SOL 346 71.370 3.220 11.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2616 ATOM 2612 OW SOL 347 72.590 4.670 17.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2617 ATOM 2613 HW1 SOL 347 72.030 5.220 16.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2618 ATOM 2614 HW2 SOL 347 73.520 4.630 16.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2619 ATOM 2615 OW SOL 348 12.110 8.890 17.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2620 ATOM 2616 HW1 SOL 348 11.110 8.960 17.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2621 ATOM 2617 HW2 SOL 348 12.470 9.290 16.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2622 ATOM 2618 OW SOL 349 7.860 4.570 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2623 ATOM 2619 HW1 SOL 349 7.330 4.140 3.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2624 ATOM 2620 HW2 SOL 349 7.670 4.100 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2625 ATOM 2621 OW SOL 350 16.590 6.470 10.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2626 ATOM 2622 HW1 SOL 350 16.610 5.580 11.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2627 ATOM 2623 HW2 SOL 350 17.480 6.650 10.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2628 ATOM 2624 OW SOL 351 2.510 16.120 16.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2629 ATOM 2625 HW1 SOL 351 1.980 15.980 16.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2630 ATOM 2626 HW2 SOL 351 1.910 16.470 15.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2631 ATOM 2627 OW SOL 352 6.660 4.830 12.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2632 ATOM 2628 HW1 SOL 352 6.690 4.130 13.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2633 ATOM 2629 HW2 SOL 352 5.740 4.840 12.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2634 ATOM 2630 OW SOL 353 8.270 17.270 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2635 ATOM 2631 HW1 SOL 353 7.470 17.480 16.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2636 ATOM 2632 HW2 SOL 353 9.040 17.040 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2637 ATOM 2633 OW SOL 354 1.760 4.260 1.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2638 ATOM 2634 HW1 SOL 354 2.550 4.610 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2639 ATOM 2635 HW2 SOL 354 1.150 5.020 0.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2640 ATOM 2636 OW SOL 355 1.100 10.720 13.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2641 ATOM 2637 HW1 SOL 355 0.930 10.740 14.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2642 ATOM 2638 HW2 SOL 355 0.810 9.830 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2643 ATOM 2639 OW SOL 356 11.820 10.580 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2644 ATOM 2640 HW1 SOL 356 11.560 9.630 13.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2645 ATOM 2641 HW2 SOL 356 11.610 10.800 12.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2646 ATOM 2642 OW SOL 357 15.240 5.260 4.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2647 ATOM 2643 HW1 SOL 357 14.330 5.670 4.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2648 ATOM 2644 HW2 SOL 357 15.830 5.770 3.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2649 ATOM 2645 OW SOL 358 16.610 18.130 10.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2650 ATOM 2646 HW1 SOL 358 17.540 18.110 9.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2651 ATOM 2647 HW2 SOL 358 16.280 17.200 10.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2652 ATOM 2648 OW SOL 359 11.830 15.440 11.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2653 ATOM 2649 HW1 SOL 359 12.140 16.080 10.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2654 ATOM 2650 HW2 SOL 359 12.420 14.630 11.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2655 ATOM 2651 OW SOL 360 3.870 12.280 8.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2656 ATOM 2652 HW1 SOL 360 3.060 11.990 8.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2657 ATOM 2653 HW2 SOL 360 4.450 11.490 8.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2658 ATOM 2654 OW SOL 361 7.220 16.970 19.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2659 ATOM 2655 HW1 SOL 361 6.280 17.310 19.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2660 ATOM 2656 HW2 SOL 361 7.590 16.990 19.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2661 ATOM 2657 OW SOL 362 10.100 71.840 0.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2662 ATOM 2658 HW1 SOL 362 9.100 71.770 0.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2663 ATOM 2659 HW2 SOL 362 10.440 71.930 -0.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2664 ATOM 2660 OW SOL 363 19.910 2.230 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2665 ATOM 2661 HW1 SOL 363 20.260 3.160 4.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2666 ATOM 2662 HW2 SOL 363 20.380 1.610 4.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2667 ATOM 2663 OW SOL 364 16.090 12.840 4.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2668 ATOM 2664 HW1 SOL 364 16.410 13.720 4.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2669 ATOM 2665 HW2 SOL 364 15.710 12.970 3.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2670 ATOM 2666 OW SOL 365 1.660 16.490 19.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2671 ATOM 2667 HW1 SOL 365 1.010 16.130 19.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2672 ATOM 2668 HW2 SOL 365 2.380 17.000 19.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2673 ATOM 2669 OW SOL 366 12.890 8.580 5.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2674 ATOM 2670 HW1 SOL 366 13.690 8.170 6.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2675 ATOM 2671 HW2 SOL 366 12.710 8.120 4.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2676 ATOM 2672 OW SOL 367 5.120 11.040 15.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2677 ATOM 2673 HW1 SOL 367 5.310 11.690 16.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2678 ATOM 2674 HW2 SOL 367 4.700 11.530 14.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2679 ATOM 2675 OW SOL 368 9.330 15.510 0.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2680 ATOM 2676 HW1 SOL 368 8.520 15.280 1.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2681 ATOM 2677 HW2 SOL 368 9.390 14.900 -0.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2682 ATOM 2678 OW SOL 369 17.220 17.310 13.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2683 ATOM 2679 HW1 SOL 369 17.980 16.950 13.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2684 ATOM 2680 HW2 SOL 369 17.070 18.270 13.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2685 ATOM 2681 OW SOL 370 17.370 1.250 6.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2686 ATOM 2682 HW1 SOL 370 17.390 0.560 7.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2687 ATOM 2683 HW2 SOL 370 16.510 1.760 6.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2688 ATOM 2684 OW SOL 371 71.520 3.020 7.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2689 ATOM 2685 HW1 SOL 371 71.640 2.310 6.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2690 ATOM 2686 HW2 SOL 371 70.550 3.130 7.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2691 ATOM 2687 OW SOL 372 11.920 13.090 1.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2692 ATOM 2688 HW1 SOL 372 11.430 12.470 1.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2693 ATOM 2689 HW2 SOL 372 11.790 12.810 0.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2694 ATOM 2690 OW SOL 373 7.130 9.590 14.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2695 ATOM 2691 HW1 SOL 373 7.450 10.200 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2696 ATOM 2692 HW2 SOL 373 6.430 10.060 15.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2697 ATOM 2693 OW SOL 374 9.870 7.660 1.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2698 ATOM 2694 HW1 SOL 374 10.640 8.270 2.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2699 ATOM 2695 HW2 SOL 374 9.910 6.880 2.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2700 ATOM 2696 OW SOL 375 14.480 13.550 2.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2701 ATOM 2697 HW1 SOL 375 13.540 13.690 2.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2702 ATOM 2698 HW2 SOL 375 15.100 13.600 1.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2703 ATOM 2699 OW SOL 376 3.760 11.940 13.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2704 ATOM 2700 HW1 SOL 376 4.060 12.720 13.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2705 ATOM 2701 HW2 SOL 376 2.860 11.640 13.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2706 ATOM 2702 OW SOL 377 14.710 13.400 12.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2707 ATOM 2703 HW1 SOL 377 15.550 13.210 13.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2708 ATOM 2704 HW2 SOL 377 14.410 14.330 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2709 ATOM 2705 OW SOL 378 11.630 10.240 7.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2710 ATOM 2706 HW1 SOL 378 10.800 10.030 8.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2711 ATOM 2707 HW2 SOL 378 11.880 9.450 6.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2712 ATOM 2708 OW SOL 379 9.580 1.490 10.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2713 ATOM 2709 HW1 SOL 379 8.670 1.810 10.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2714 ATOM 2710 HW2 SOL 379 9.490 0.640 10.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2715 ATOM 2711 OW SOL 380 6.970 14.850 1.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2716 ATOM 2712 HW1 SOL 380 6.730 13.890 1.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2717 ATOM 2713 HW2 SOL 380 6.140 15.410 2.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2718 ATOM 2714 OW SOL 381 18.120 3.310 13.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2719 ATOM 2715 HW1 SOL 381 18.200 4.120 14.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2720 ATOM 2716 HW2 SOL 381 17.740 3.570 13.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2721 ATOM 2717 OW SOL 382 1.530 15.600 3.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2722 ATOM 2718 HW1 SOL 382 1.060 14.750 3.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2723 ATOM 2719 HW2 SOL 382 1.370 16.260 3.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2724 ATOM 2720 OW SOL 383 0.710 10.250 15.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2725 ATOM 2721 HW1 SOL 383 0.360 9.680 16.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2726 ATOM 2722 HW2 SOL 383 1.550 9.840 15.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2727 ATOM 2723 OW SOL 384 6.550 2.720 14.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2728 ATOM 2724 HW1 SOL 384 7.330 2.210 13.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2729 ATOM 2725 HW2 SOL 384 6.620 2.770 15.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2730 ATOM 2726 OW SOL 385 70.250 2.860 70.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2731 ATOM 2727 HW1 SOL 385 70.270 3.550 71.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2732 ATOM 2728 HW2 SOL 385 70.740 3.210 69.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2733 ATOM 2729 OW SOL 386 13.440 10.050 15.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2734 ATOM 2730 HW1 SOL 386 12.770 10.190 14.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2735 ATOM 2731 HW2 SOL 386 14.360 10.010 15.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2736 ATOM 2732 OW SOL 387 71.640 2.480 3.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2737 ATOM 2733 HW1 SOL 387 70.680 2.650 3.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2738 ATOM 2734 HW2 SOL 387 71.810 2.800 2.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2739 ATOM 2735 OW SOL 388 9.660 11.610 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2740 ATOM 2736 HW1 SOL 388 8.890 11.250 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2741 ATOM 2737 HW2 SOL 388 9.310 12.170 2.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2742 ATOM 2738 OW SOL 389 6.460 6.930 15.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2743 ATOM 2739 HW1 SOL 389 6.620 7.890 14.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2744 ATOM 2740 HW2 SOL 389 7.310 6.420 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2745 ATOM 2741 OW SOL 390 13.140 16.550 9.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2746 ATOM 2742 HW1 SOL 390 13.260 17.060 8.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2747 ATOM 2743 HW2 SOL 390 14.040 16.340 9.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2748 ATOM 2744 OW SOL 391 4.620 3.970 18.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2749 ATOM 2745 HW1 SOL 391 3.770 3.620 18.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2750 ATOM 2746 HW2 SOL 391 5.400 3.560 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2751 ATOM 2747 OW SOL 392 14.020 14.660 15.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2752 ATOM 2748 HW1 SOL 392 14.670 14.510 16.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2753 ATOM 2749 HW2 SOL 392 14.470 15.170 15.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2754 ATOM 2750 OW SOL 393 4.290 18.150 15.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2755 ATOM 2751 HW1 SOL 393 3.810 18.530 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2756 ATOM 2752 HW2 SOL 393 3.900 17.270 15.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2757 ATOM 2753 OW SOL 394 16.320 8.860 12.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2758 ATOM 2754 HW1 SOL 394 16.790 8.160 11.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2759 ATOM 2755 HW2 SOL 394 16.330 9.720 11.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2760 ATOM 2756 OW SOL 395 10.880 1.350 4.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2761 ATOM 2757 HW1 SOL 395 11.550 0.930 3.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2762 ATOM 2758 HW2 SOL 395 11.350 1.910 5.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2763 ATOM 2759 OW SOL 396 6.020 5.260 6.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2764 ATOM 2760 HW1 SOL 396 6.560 6.050 6.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2765 ATOM 2761 HW2 SOL 396 5.050 5.500 6.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2766 ATOM 2762 OW SOL 397 15.640 2.930 15.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2767 ATOM 2763 HW1 SOL 397 16.400 2.830 14.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2768 ATOM 2764 HW2 SOL 397 15.380 2.030 15.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2769 ATOM 2765 OW SOL 398 16.240 9.680 14.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2770 ATOM 2766 HW1 SOL 398 17.160 9.950 15.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2771 ATOM 2767 HW2 SOL 398 16.270 9.330 13.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2772 ATOM 2768 OW SOL 399 8.640 11.820 71.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2773 ATOM 2769 HW1 SOL 399 8.630 10.860 71.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2774 ATOM 2770 HW2 SOL 399 7.700 12.110 71.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2775 ATOM 2771 OW SOL 400 7.410 16.400 9.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2776 ATOM 2772 HW1 SOL 400 7.360 17.390 9.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2777 ATOM 2773 HW2 SOL 400 7.770 16.000 8.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2778 ATOM 2774 OW SOL 401 9.390 9.730 8.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2779 ATOM 2775 HW1 SOL 401 9.020 8.850 8.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2780 ATOM 2776 HW2 SOL 401 8.760 10.460 8.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2781 ATOM 2777 OW SOL 402 13.170 5.790 0.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2782 ATOM 2778 HW1 SOL 402 12.630 6.000 0.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2783 ATOM 2779 HW2 SOL 402 13.200 4.800 1.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2784 ATOM 2780 OW SOL 403 18.250 15.570 6.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2785 ATOM 2781 HW1 SOL 403 17.250 15.500 6.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2786 ATOM 2782 HW2 SOL 403 18.640 14.850 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2787 ATOM 2783 OW SOL 404 0.920 13.230 15.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2788 ATOM 2784 HW1 SOL 404 1.190 12.290 15.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2789 ATOM 2785 HW2 SOL 404 0.530 13.250 14.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2790 ATOM 2786 OW SOL 405 2.220 13.150 6.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2791 ATOM 2787 HW1 SOL 405 1.540 12.420 6.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2792 ATOM 2788 HW2 SOL 405 2.970 12.850 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2793 ATOM 2789 OW SOL 406 6.650 13.500 16.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2794 ATOM 2790 HW1 SOL 406 6.280 14.210 15.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2795 ATOM 2791 HW2 SOL 406 7.650 13.450 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2796 ATOM 2792 OW SOL 407 16.550 4.000 11.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2797 ATOM 2793 HW1 SOL 407 17.170 3.430 11.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2798 ATOM 2794 HW2 SOL 407 15.610 3.790 11.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2799 ATOM 2795 OW SOL 408 1.290 3.640 5.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2800 ATOM 2796 HW1 SOL 408 0.900 3.520 6.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2801 ATOM 2797 HW2 SOL 408 0.550 3.790 4.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2802 ATOM 2798 OW SOL 409 15.640 15.550 10.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2803 ATOM 2799 HW1 SOL 409 15.520 14.730 9.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2804 ATOM 2800 HW2 SOL 409 16.350 15.390 10.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2805 ATOM 2801 OW SOL 410 3.190 5.480 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2806 ATOM 2802 HW1 SOL 410 3.710 4.640 13.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2807 ATOM 2803 HW2 SOL 410 2.970 5.530 14.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2808 ATOM 2804 OW SOL 411 8.330 15.510 4.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2809 ATOM 2805 HW1 SOL 411 7.930 15.950 4.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2810 ATOM 2806 HW2 SOL 411 8.660 14.600 4.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2811 ATOM 2807 OW SOL 412 14.510 2.310 10.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2812 ATOM 2808 HW1 SOL 412 14.420 1.430 10.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2813 ATOM 2809 HW2 SOL 412 13.840 2.960 10.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2814 ATOM 2810 OW SOL 413 9.100 71.690 11.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2815 ATOM 2811 HW1 SOL 413 8.470 70.930 11.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2816 ATOM 2812 HW2 SOL 413 10.040 71.390 11.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2817 ATOM 2813 OW SOL 414 9.090 9.130 71.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2818 ATOM 2814 HW1 SOL 414 9.860 8.520 72.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2819 ATOM 2815 HW2 SOL 414 8.510 8.730 71.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2820 ATOM 2816 OW SOL 415 6.460 15.460 14.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2821 ATOM 2817 HW1 SOL 415 6.470 16.460 14.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2822 ATOM 2818 HW2 SOL 415 7.030 15.140 13.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2823 ATOM 2819 OW SOL 416 14.660 71.760 1.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2824 ATOM 2820 HW1 SOL 416 15.420 71.500 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2825 ATOM 2821 HW2 SOL 416 14.300 70.950 0.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2826 ATOM 2822 OW SOL 417 11.880 3.100 6.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2827 ATOM 2823 HW1 SOL 417 12.010 4.090 6.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2828 ATOM 2824 HW2 SOL 417 12.070 2.830 7.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2829 ATOM 2825 OW SOL 418 15.050 2.560 7.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2830 ATOM 2826 HW1 SOL 418 14.810 2.280 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2831 ATOM 2827 HW2 SOL 418 15.370 3.510 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2832 ATOM 2828 OW SOL 419 0.770 10.310 3.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2833 ATOM 2829 HW1 SOL 419 1.070 9.380 3.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2834 ATOM 2830 HW2 SOL 419 0.890 10.440 4.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2835 ATOM 2831 OW SOL 420 11.020 16.020 2.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2836 ATOM 2832 HW1 SOL 420 10.390 15.880 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2837 ATOM 2833 HW2 SOL 420 11.350 15.140 2.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2838 ATOM 2834 OW SOL 421 3.010 8.050 19.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2839 ATOM 2835 HW1 SOL 421 2.110 7.650 19.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2840 ATOM 2836 HW2 SOL 421 2.930 9.040 19.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2841 ATOM 2837 OW SOL 422 1.830 2.440 27.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2842 ATOM 2838 HW1 SOL 422 2.770 2.640 26.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2843 ATOM 2839 HW2 SOL 422 1.800 1.560 27.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2844 ATOM 2840 OW SOL 423 71.780 5.240 25.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2845 ATOM 2841 HW1 SOL 423 72.710 4.940 25.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2846 ATOM 2842 HW2 SOL 423 71.820 6.030 26.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2847 ATOM 2843 OW SOL 424 5.310 13.320 30.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2848 ATOM 2844 HW1 SOL 424 5.960 13.900 30.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2849 ATOM 2845 HW2 SOL 424 5.090 13.740 31.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2850 ATOM 2846 OW SOL 425 16.630 14.350 25.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2851 ATOM 2847 HW1 SOL 425 16.350 14.550 26.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2852 ATOM 2848 HW2 SOL 425 15.930 14.700 24.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2853 ATOM 2849 OW SOL 426 11.940 7.600 24.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2854 ATOM 2850 HW1 SOL 426 12.260 8.530 24.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2855 ATOM 2851 HW2 SOL 426 10.950 7.560 24.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2856 ATOM 2852 OW SOL 427 17.360 7.640 20.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2857 ATOM 2853 HW1 SOL 427 16.530 8.120 20.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2858 ATOM 2854 HW2 SOL 427 17.160 7.080 19.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2859 ATOM 2855 OW SOL 428 5.550 11.440 28.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2860 ATOM 2856 HW1 SOL 428 5.370 11.890 29.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2861 ATOM 2857 HW2 SOL 428 4.760 10.880 28.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2862 ATOM 2858 OW SOL 429 8.370 5.770 35.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2863 ATOM 2859 HW1 SOL 429 8.600 5.600 36.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2864 ATOM 2860 HW2 SOL 429 8.960 6.490 35.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2865 ATOM 2861 OW SOL 430 6.820 10.320 24.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2866 ATOM 2862 HW1 SOL 430 7.300 9.880 25.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2867 ATOM 2863 HW2 SOL 430 5.960 10.720 24.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2868 ATOM 2864 OW SOL 431 6.580 11.430 36.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2869 ATOM 2865 HW1 SOL 431 7.440 11.800 36.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2870 ATOM 2866 HW2 SOL 431 6.040 12.150 35.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2871 ATOM 2867 OW SOL 432 4.550 15.550 28.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2872 ATOM 2868 HW1 SOL 432 3.920 14.790 28.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2873 ATOM 2869 HW2 SOL 432 5.450 15.190 28.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2874 ATOM 2870 OW SOL 433 15.360 13.530 33.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2875 ATOM 2871 HW1 SOL 433 15.680 13.480 34.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2876 ATOM 2872 HW2 SOL 433 14.380 13.720 33.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2877 ATOM 2873 OW SOL 434 4.090 4.280 33.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2878 ATOM 2874 HW1 SOL 434 5.000 4.670 33.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2879 ATOM 2875 HW2 SOL 434 4.110 3.300 33.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2880 ATOM 2876 OW SOL 435 16.370 5.370 24.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2881 ATOM 2877 HW1 SOL 435 15.450 5.130 24.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2882 ATOM 2878 HW2 SOL 435 16.460 6.360 23.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2883 ATOM 2879 OW SOL 436 1.930 17.610 23.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2884 ATOM 2880 HW1 SOL 436 1.890 17.880 23.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2885 ATOM 2881 HW2 SOL 436 2.690 18.090 22.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2886 ATOM 2882 OW SOL 437 9.370 13.380 35.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2887 ATOM 2883 HW1 SOL 437 10.040 12.720 35.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2888 ATOM 2884 HW2 SOL 437 8.650 13.500 34.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2889 ATOM 2885 OW SOL 438 0.390 15.390 23.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2890 ATOM 2886 HW1 SOL 438 0.880 16.060 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2891 ATOM 2887 HW2 SOL 438 0.780 15.350 24.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2892 ATOM 2888 OW SOL 439 2.910 10.890 27.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2893 ATOM 2889 HW1 SOL 439 2.830 10.200 26.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2894 ATOM 2890 HW2 SOL 439 2.040 10.960 28.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2895 ATOM 2891 OW SOL 440 4.420 18.030 33.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2896 ATOM 2892 HW1 SOL 440 3.720 18.320 34.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2897 ATOM 2893 HW2 SOL 440 5.280 18.480 33.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2898 ATOM 2894 OW SOL 441 5.840 10.980 20.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2899 ATOM 2895 HW1 SOL 441 6.250 11.810 19.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2900 ATOM 2896 HW2 SOL 441 5.900 10.970 21.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2901 ATOM 2897 OW SOL 442 13.780 2.490 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2902 ATOM 2898 HW1 SOL 442 13.830 2.570 31.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2903 ATOM 2899 HW2 SOL 442 14.690 2.340 32.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2904 ATOM 2900 OW SOL 443 3.080 5.830 24.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2905 ATOM 2901 HW1 SOL 443 2.470 5.070 24.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2906 ATOM 2902 HW2 SOL 443 2.890 6.120 25.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2907 ATOM 2903 OW SOL 444 17.540 18.260 22.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2908 ATOM 2904 HW1 SOL 444 18.250 18.460 22.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2909 ATOM 2905 HW2 SOL 444 17.510 19.000 21.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2910 ATOM 2906 OW SOL 445 71.880 14.820 20.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2911 ATOM 2907 HW1 SOL 445 71.160 14.300 19.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2912 ATOM 2908 HW2 SOL 445 71.580 15.770 20.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2913 ATOM 2909 OW SOL 446 17.080 9.340 26.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2914 ATOM 2910 HW1 SOL 446 17.880 9.140 27.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2915 ATOM 2911 HW2 SOL 446 17.230 10.210 26.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2916 ATOM 2912 OW SOL 447 17.510 10.030 22.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2917 ATOM 2913 HW1 SOL 447 17.140 10.430 21.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2918 ATOM 2914 HW2 SOL 447 18.350 10.510 22.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2919 ATOM 2915 OW SOL 448 2.730 6.700 34.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2920 ATOM 2916 HW1 SOL 448 3.380 7.460 34.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2921 ATOM 2917 HW2 SOL 448 3.180 5.870 33.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2922 ATOM 2918 OW SOL 449 6.720 13.830 26.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2923 ATOM 2919 HW1 SOL 449 6.170 13.000 26.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2924 ATOM 2920 HW2 SOL 449 6.890 14.240 25.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2925 ATOM 2921 OW SOL 450 10.930 11.560 34.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2926 ATOM 2922 HW1 SOL 450 11.750 11.020 34.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2927 ATOM 2923 HW2 SOL 450 10.140 10.960 34.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2928 ATOM 2924 OW SOL 451 8.950 0.320 23.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2929 ATOM 2925 HW1 SOL 451 8.780 1.180 23.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2930 ATOM 2926 HW2 SOL 451 8.090 -0.050 23.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2931 ATOM 2927 OW SOL 452 2.370 10.670 30.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2932 ATOM 2928 HW1 SOL 452 2.510 9.690 30.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2933 ATOM 2929 HW2 SOL 452 1.720 11.000 30.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2934 ATOM 2930 OW SOL 453 16.090 11.600 19.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2935 ATOM 2931 HW1 SOL 453 15.810 11.140 18.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2936 ATOM 2932 HW2 SOL 453 15.290 12.000 20.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2937 ATOM 2933 OW SOL 454 14.590 17.310 35.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2938 ATOM 2934 HW1 SOL 454 14.510 16.310 35.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2939 ATOM 2935 HW2 SOL 454 14.200 17.670 34.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2940 ATOM 2936 OW SOL 455 2.060 2.050 35.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2941 ATOM 2937 HW1 SOL 455 2.500 2.840 36.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2942 ATOM 2938 HW2 SOL 455 1.340 2.350 35.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2943 ATOM 2939 OW SOL 456 15.630 14.370 27.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2944 ATOM 2940 HW1 SOL 456 15.450 15.240 28.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2945 ATOM 2941 HW2 SOL 456 14.870 13.740 27.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2946 ATOM 2942 OW SOL 457 15.800 20.490 24.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2947 ATOM 2943 HW1 SOL 457 15.890 19.560 25.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2948 ATOM 2944 HW2 SOL 457 15.690 21.120 25.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2949 ATOM 2945 OW SOL 458 5.600 8.410 19.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2950 ATOM 2946 HW1 SOL 458 5.750 9.390 19.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2951 ATOM 2947 HW2 SOL 458 4.710 8.170 19.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2952 ATOM 2948 OW SOL 459 12.250 5.090 27.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2953 ATOM 2949 HW1 SOL 459 12.880 5.100 27.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2954 ATOM 2950 HW2 SOL 459 11.940 4.150 27.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2955 ATOM 2951 OW SOL 460 14.740 17.780 22.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2956 ATOM 2952 HW1 SOL 460 15.710 18.010 22.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2957 ATOM 2953 HW2 SOL 460 14.390 17.660 21.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2958 ATOM 2954 OW SOL 461 5.290 5.720 30.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2959 ATOM 2955 HW1 SOL 461 5.510 4.880 31.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2960 ATOM 2956 HW2 SOL 461 4.990 5.510 29.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2961 ATOM 2957 OW SOL 462 13.440 3.890 35.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2962 ATOM 2958 HW1 SOL 462 13.990 4.720 35.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2963 ATOM 2959 HW2 SOL 462 14.030 3.090 35.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2964 ATOM 2960 OW SOL 463 9.840 7.550 33.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2965 ATOM 2961 HW1 SOL 463 10.290 6.820 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2966 ATOM 2962 HW2 SOL 463 9.270 8.100 33.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2967 ATOM 2963 OW SOL 464 9.620 2.900 29.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2968 ATOM 2964 HW1 SOL 464 9.510 3.870 29.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2969 ATOM 2965 HW2 SOL 464 10.130 2.810 28.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2970 ATOM 2966 OW SOL 465 11.730 6.960 21.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2971 ATOM 2967 HW1 SOL 465 11.870 7.260 22.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2972 ATOM 2968 HW2 SOL 465 10.760 6.980 21.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2973 ATOM 2969 OW SOL 466 0.620 7.390 26.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2974 ATOM 2970 HW1 SOL 466 1.450 6.920 27.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2975 ATOM 2971 HW2 SOL 466 0.050 7.600 27.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2976 ATOM 2972 OW SOL 467 0.760 19.370 35.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2977 ATOM 2973 HW1 SOL 467 0.620 20.300 36.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2978 ATOM 2974 HW2 SOL 467 -0.080 19.030 35.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2979 ATOM 2975 OW SOL 468 8.080 2.240 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2980 ATOM 2976 HW1 SOL 468 8.440 3.070 20.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2981 ATOM 2977 HW2 SOL 468 8.730 1.490 21.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2982 ATOM 2978 OW SOL 469 17.270 6.520 38.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2983 ATOM 2979 HW1 SOL 469 17.170 7.410 37.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2984 ATOM 2980 HW2 SOL 469 18.060 6.030 37.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2985 ATOM 2981 OW SOL 470 14.980 10.740 23.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2986 ATOM 2982 HW1 SOL 470 15.970 10.810 23.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2987 ATOM 2983 HW2 SOL 470 14.610 11.630 23.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2988 ATOM 2984 OW SOL 471 5.110 1.940 25.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2989 ATOM 2985 HW1 SOL 471 5.420 1.710 26.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2990 ATOM 2986 HW2 SOL 471 5.500 2.820 25.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2991 ATOM 2987 OW SOL 472 10.740 15.980 23.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2992 ATOM 2988 HW1 SOL 472 11.310 16.380 23.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2993 ATOM 2989 HW2 SOL 472 9.960 16.570 22.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2994 ATOM 2990 OW SOL 473 6.140 20.690 27.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2995 ATOM 2991 HW1 SOL 473 6.710 20.550 28.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2996 ATOM 2992 HW2 SOL 473 6.700 21.060 26.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2997 ATOM 2993 OW SOL 474 18.990 9.190 29.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2998 ATOM 2994 HW1 SOL 474 19.280 8.770 29.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
2999 ATOM 2995 HW2 SOL 474 18.140 9.680 29.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3000 ATOM 2996 OW SOL 475 12.680 13.920 33.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3001 ATOM 2997 HW1 SOL 475 12.140 13.090 33.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3002 ATOM 2998 HW2 SOL 475 12.080 14.630 33.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3003 ATOM 2999 OW SOL 476 2.970 10.950 19.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3004 ATOM 3000 HW1 SOL 476 3.940 11.160 20.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3005 ATOM 3001 HW2 SOL 476 2.520 11.720 19.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3006 ATOM 3002 OW SOL 477 14.660 9.990 27.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3007 ATOM 3003 HW1 SOL 477 14.560 9.130 28.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3008 ATOM 3004 HW2 SOL 477 15.500 9.950 27.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3009 ATOM 3005 OW SOL 478 5.650 14.280 35.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3010 ATOM 3006 HW1 SOL 478 5.060 14.350 35.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3011 ATOM 3007 HW2 SOL 478 5.110 14.500 36.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3012 ATOM 3008 OW SOL 479 11.140 18.460 21.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3013 ATOM 3009 HW1 SOL 479 10.260 18.480 21.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3014 ATOM 3010 HW2 SOL 479 11.160 17.710 20.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3015 ATOM 3011 OW SOL 480 1.570 2.490 31.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3016 ATOM 3012 HW1 SOL 480 0.760 2.370 30.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3017 ATOM 3013 HW2 SOL 480 1.420 2.080 31.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3018 ATOM 3014 OW SOL 481 16.750 13.600 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3019 ATOM 3015 HW1 SOL 481 16.040 13.610 22.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3020 ATOM 3016 HW2 SOL 481 16.640 12.800 20.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3021 ATOM 3017 OW SOL 482 5.260 17.890 21.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3022 ATOM 3018 HW1 SOL 482 4.800 18.430 22.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3023 ATOM 3019 HW2 SOL 482 5.330 16.940 22.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3024 ATOM 3020 OW SOL 483 14.380 1.680 23.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3025 ATOM 3021 HW1 SOL 483 13.700 2.400 22.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3026 ATOM 3022 HW2 SOL 483 15.290 2.070 22.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3027 ATOM 3023 OW SOL 484 1.410 17.530 30.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3028 ATOM 3024 HW1 SOL 484 2.120 17.170 30.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3029 ATOM 3025 HW2 SOL 484 1.320 16.920 29.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3030 ATOM 3026 OW SOL 485 8.890 16.200 26.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3031 ATOM 3027 HW1 SOL 485 9.720 15.650 26.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3032 ATOM 3028 HW2 SOL 485 8.360 15.850 25.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3033 ATOM 3029 OW SOL 486 5.010 6.060 23.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3034 ATOM 3030 HW1 SOL 486 4.500 5.830 22.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3035 ATOM 3031 HW2 SOL 486 4.440 5.880 23.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3036 ATOM 3032 OW SOL 487 15.310 1.940 35.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3037 ATOM 3033 HW1 SOL 487 15.360 2.210 36.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3038 ATOM 3034 HW2 SOL 487 15.420 0.950 35.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3039 ATOM 3035 OW SOL 488 3.720 0.850 19.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3040 ATOM 3036 HW1 SOL 488 4.370 1.100 20.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3041 ATOM 3037 HW2 SOL 488 4.150 0.210 19.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3042 ATOM 3038 OW SOL 489 8.500 0.420 32.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3043 ATOM 3039 HW1 SOL 489 9.310 0.640 32.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3044 ATOM 3040 HW2 SOL 489 8.710 -0.320 33.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3045 ATOM 3041 OW SOL 490 10.420 15.490 30.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3046 ATOM 3042 HW1 SOL 490 9.750 15.870 29.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3047 ATOM 3043 HW2 SOL 490 10.850 14.680 30.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3048 ATOM 3044 OW SOL 491 14.090 6.390 31.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3049 ATOM 3045 HW1 SOL 491 14.720 5.680 32.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3050 ATOM 3046 HW2 SOL 491 14.510 7.290 32.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3051 ATOM 3047 OW SOL 492 9.120 12.980 27.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3052 ATOM 3048 HW1 SOL 492 9.790 13.620 27.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3053 ATOM 3049 HW2 SOL 492 8.230 13.150 27.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3054 ATOM 3050 OW SOL 493 10.300 6.970 27.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3055 ATOM 3051 HW1 SOL 493 10.770 6.540 27.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3056 ATOM 3052 HW2 SOL 493 10.030 6.260 28.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3057 ATOM 3053 OW SOL 494 6.320 0.390 23.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3058 ATOM 3054 HW1 SOL 494 6.030 0.680 24.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3059 ATOM 3055 HW2 SOL 494 5.810 0.910 22.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3060 ATOM 3056 OW SOL 495 15.500 14.370 18.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3061 ATOM 3057 HW1 SOL 495 16.490 14.420 18.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3062 ATOM 3058 HW2 SOL 495 15.130 13.990 19.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3063 ATOM 3059 OW SOL 496 1.160 72.570 20.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3064 ATOM 3060 HW1 SOL 496 1.990 72.990 20.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3065 ATOM 3061 HW2 SOL 496 1.270 72.410 21.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3066 ATOM 3062 OW SOL 497 10.240 4.230 22.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3067 ATOM 3063 HW1 SOL 497 9.770 4.310 21.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3068 ATOM 3064 HW2 SOL 497 11.230 4.180 22.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3069 ATOM 3065 OW SOL 498 11.370 5.780 31.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3070 ATOM 3066 HW1 SOL 498 11.470 4.870 32.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3071 ATOM 3067 HW2 SOL 498 12.250 6.260 31.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3072 ATOM 3068 OW SOL 499 13.050 16.510 26.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3073 ATOM 3069 HW1 SOL 499 12.740 17.300 25.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3074 ATOM 3070 HW2 SOL 499 13.760 16.810 26.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3075 ATOM 3071 OW SOL 500 4.850 12.020 25.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3076 ATOM 3072 HW1 SOL 500 4.400 11.970 26.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3077 ATOM 3073 HW2 SOL 500 4.170 12.240 25.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3078 ATOM 3074 OW SOL 501 11.740 18.300 24.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3079 ATOM 3075 HW1 SOL 501 11.880 18.570 23.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3080 ATOM 3076 HW2 SOL 501 10.880 18.680 24.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3081 ATOM 3077 OW SOL 502 8.990 4.320 19.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3082 ATOM 3078 HW1 SOL 502 8.470 5.090 19.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3083 ATOM 3079 HW2 SOL 502 9.960 4.440 19.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3084 ATOM 3080 OW SOL 503 0.360 7.890 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3085 ATOM 3081 HW1 SOL 503 1.270 7.900 31.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3086 ATOM 3082 HW2 SOL 503 0.170 8.780 32.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3087 ATOM 3083 OW SOL 504 5.020 1.930 28.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3088 ATOM 3084 HW1 SOL 504 5.950 1.780 28.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3089 ATOM 3085 HW2 SOL 504 4.370 1.610 28.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3090 ATOM 3086 OW SOL 505 9.220 6.740 24.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3091 ATOM 3087 HW1 SOL 505 8.340 7.050 24.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3092 ATOM 3088 HW2 SOL 505 9.570 5.990 23.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3093 ATOM 3089 OW SOL 506 8.780 2.810 24.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3094 ATOM 3090 HW1 SOL 506 9.490 3.250 24.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3095 ATOM 3091 HW2 SOL 506 7.940 3.350 24.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3096 ATOM 3092 OW SOL 507 13.740 12.590 28.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3097 ATOM 3093 HW1 SOL 507 12.850 12.660 28.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3098 ATOM 3094 HW2 SOL 507 13.990 11.630 28.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3099 ATOM 3095 OW SOL 508 14.500 7.860 29.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3100 ATOM 3096 HW1 SOL 508 13.520 7.840 29.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3101 ATOM 3097 HW2 SOL 508 14.830 6.930 29.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3102 ATOM 3098 OW SOL 509 19.810 8.080 21.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3103 ATOM 3099 HW1 SOL 509 20.100 7.770 22.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3104 ATOM 3100 HW2 SOL 509 18.840 7.880 21.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3105 ATOM 3101 OW SOL 510 3.900 14.410 20.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3106 ATOM 3102 HW1 SOL 510 2.960 14.230 20.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3107 ATOM 3103 HW2 SOL 510 3.910 14.460 19.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3108 ATOM 3104 OW SOL 511 17.260 11.720 25.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3109 ATOM 3105 HW1 SOL 511 18.010 11.660 24.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3110 ATOM 3106 HW2 SOL 511 16.880 12.650 25.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3111 ATOM 3107 OW SOL 512 12.550 4.310 17.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3112 ATOM 3108 HW1 SOL 512 11.940 4.540 17.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3113 ATOM 3109 HW2 SOL 512 13.470 4.650 17.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3114 ATOM 3110 OW SOL 513 5.340 2.100 21.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3115 ATOM 3111 HW1 SOL 513 6.330 2.130 21.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3116 ATOM 3112 HW2 SOL 513 5.000 3.040 21.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3117 ATOM 3113 OW SOL 514 18.450 11.490 34.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3118 ATOM 3114 HW1 SOL 514 18.990 11.580 33.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3119 ATOM 3115 HW2 SOL 514 18.850 12.070 35.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3120 ATOM 3116 OW SOL 515 9.920 12.520 31.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3121 ATOM 3117 HW1 SOL 515 9.230 11.820 31.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3122 ATOM 3118 HW2 SOL 515 9.610 13.380 32.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3123 ATOM 3119 OW SOL 516 18.140 15.740 35.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3124 ATOM 3120 HW1 SOL 516 18.960 15.380 34.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3125 ATOM 3121 HW2 SOL 516 17.640 16.340 34.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3126 ATOM 3122 OW SOL 517 11.280 12.850 29.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3127 ATOM 3123 HW1 SOL 517 11.020 12.680 30.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3128 ATOM 3124 HW2 SOL 517 10.490 12.720 28.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3129 ATOM 3125 OW SOL 518 16.640 10.320 29.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3130 ATOM 3126 HW1 SOL 518 16.340 10.790 30.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3131 ATOM 3127 HW2 SOL 518 15.860 9.900 29.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3132 ATOM 3128 OW SOL 519 7.470 1.260 28.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3133 ATOM 3129 HW1 SOL 519 7.650 0.410 29.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3134 ATOM 3130 HW2 SOL 519 8.340 1.750 28.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3135 ATOM 3131 OW SOL 520 8.930 9.790 35.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3136 ATOM 3132 HW1 SOL 520 8.080 9.740 35.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3137 ATOM 3133 HW2 SOL 520 9.050 8.930 34.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3138 ATOM 3134 OW SOL 521 8.350 12.050 23.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3139 ATOM 3135 HW1 SOL 521 7.840 11.320 23.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3140 ATOM 3136 HW2 SOL 521 8.850 11.670 22.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3141 ATOM 3137 OW SOL 522 3.010 7.830 30.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3142 ATOM 3138 HW1 SOL 522 3.980 8.070 30.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3143 ATOM 3139 HW2 SOL 522 2.920 6.850 30.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3144 ATOM 3140 OW SOL 523 13.870 4.510 30.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3145 ATOM 3141 HW1 SOL 523 14.860 4.620 29.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3146 ATOM 3142 HW2 SOL 523 13.560 5.100 30.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3147 ATOM 3143 OW SOL 524 71.910 15.680 31.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3148 ATOM 3144 HW1 SOL 524 71.490 15.950 32.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3149 ATOM 3145 HW2 SOL 524 71.770 16.400 31.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3150 ATOM 3146 OW SOL 525 3.240 12.420 23.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3151 ATOM 3147 HW1 SOL 525 4.190 12.550 23.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3152 ATOM 3148 HW2 SOL 525 2.650 12.540 22.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3153 ATOM 3149 OW SOL 526 6.600 4.310 24.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3154 ATOM 3150 HW1 SOL 526 6.000 4.890 24.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3155 ATOM 3151 HW2 SOL 526 6.890 4.810 25.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3156 ATOM 3152 OW SOL 527 13.530 13.100 23.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3157 ATOM 3153 HW1 SOL 527 13.850 14.050 23.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3158 ATOM 3154 HW2 SOL 527 12.610 13.030 23.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3159 ATOM 3155 OW SOL 528 14.710 16.100 30.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3160 ATOM 3156 HW1 SOL 528 15.150 16.610 31.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3161 ATOM 3157 HW2 SOL 528 14.770 15.120 30.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3162 ATOM 3158 OW SOL 529 16.820 8.020 24.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3163 ATOM 3159 HW1 SOL 529 17.150 8.690 23.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3164 ATOM 3160 HW2 SOL 529 16.780 8.440 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3165 ATOM 3161 OW SOL 530 3.020 16.000 31.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3166 ATOM 3162 HW1 SOL 530 2.510 15.200 32.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3167 ATOM 3163 HW2 SOL 530 3.680 16.270 32.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3168 ATOM 3164 OW SOL 531 5.580 7.690 34.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3169 ATOM 3165 HW1 SOL 531 5.660 8.400 33.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3170 ATOM 3166 HW2 SOL 531 6.080 6.880 33.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3171 ATOM 3167 OW SOL 532 16.950 8.920 37.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3172 ATOM 3168 HW1 SOL 532 16.230 9.560 37.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3173 ATOM 3169 HW2 SOL 532 16.990 8.880 36.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3174 ATOM 3170 OW SOL 533 11.580 1.610 37.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3175 ATOM 3171 HW1 SOL 533 11.400 2.180 36.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3176 ATOM 3172 HW2 SOL 533 11.930 2.180 38.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3177 ATOM 3173 OW SOL 534 4.110 1.510 33.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3178 ATOM 3174 HW1 SOL 534 4.410 0.660 33.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3179 ATOM 3175 HW2 SOL 534 3.290 1.340 34.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3180 ATOM 3176 OW SOL 535 5.840 8.670 26.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3181 ATOM 3177 HW1 SOL 535 4.930 8.930 26.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3182 ATOM 3178 HW2 SOL 535 6.300 9.460 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3183 ATOM 3179 OW SOL 536 11.870 8.410 29.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3184 ATOM 3180 HW1 SOL 536 11.440 9.280 29.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3185 ATOM 3181 HW2 SOL 536 11.550 7.680 29.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3186 ATOM 3182 OW SOL 537 11.620 4.870 19.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3187 ATOM 3183 HW1 SOL 537 12.170 4.060 19.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3188 ATOM 3184 HW2 SOL 537 11.860 5.620 20.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3189 ATOM 3185 OW SOL 538 4.050 1.300 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3190 ATOM 3186 HW1 SOL 538 3.180 1.730 30.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3191 ATOM 3187 HW2 SOL 538 3.950 0.310 30.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3192 ATOM 3188 OW SOL 539 1.200 13.840 31.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3193 ATOM 3189 HW1 SOL 539 0.630 13.090 31.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3194 ATOM 3190 HW2 SOL 539 0.730 14.710 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3195 ATOM 3191 OW SOL 540 6.890 6.230 26.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3196 ATOM 3192 HW1 SOL 540 7.810 6.520 26.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3197 ATOM 3193 HW2 SOL 540 6.330 7.030 26.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3198 ATOM 3194 OW SOL 541 18.740 10.820 38.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3199 ATOM 3195 HW1 SOL 541 18.180 10.100 37.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3200 ATOM 3196 HW2 SOL 541 19.110 10.520 38.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3201 ATOM 3197 OW SOL 542 1.490 72.270 23.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3202 ATOM 3198 HW1 SOL 542 0.920 72.580 24.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3203 ATOM 3199 HW2 SOL 542 2.450 72.270 23.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3204 ATOM 3200 OW SOL 543 14.890 5.710 21.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3205 ATOM 3201 HW1 SOL 543 15.590 5.700 22.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3206 ATOM 3202 HW2 SOL 543 14.660 6.660 21.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3207 ATOM 3203 OW SOL 544 8.880 9.000 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3208 ATOM 3204 HW1 SOL 544 9.440 8.290 28.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3209 ATOM 3205 HW2 SOL 544 8.480 9.580 28.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3210 ATOM 3206 OW SOL 545 10.660 15.990 35.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3211 ATOM 3207 HW1 SOL 545 10.890 16.090 34.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3212 ATOM 3208 HW2 SOL 545 10.100 15.170 36.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3213 ATOM 3209 OW SOL 546 16.100 14.310 36.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3214 ATOM 3210 HW1 SOL 546 16.490 13.700 36.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3215 ATOM 3211 HW2 SOL 546 16.840 14.750 35.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3216 ATOM 3212 OW SOL 547 4.650 9.470 35.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3217 ATOM 3213 HW1 SOL 547 5.300 10.210 36.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3218 ATOM 3214 HW2 SOL 547 4.990 8.910 35.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3219 ATOM 3215 OW SOL 548 15.430 3.850 19.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3220 ATOM 3216 HW1 SOL 548 14.610 3.440 19.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3221 ATOM 3217 HW2 SOL 548 15.150 4.520 20.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3222 ATOM 3218 OW SOL 549 12.730 8.790 20.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3223 ATOM 3219 HW1 SOL 549 12.370 8.070 20.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3224 ATOM 3220 HW2 SOL 549 12.570 8.550 19.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3225 ATOM 3221 OW SOL 550 11.020 14.710 26.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3226 ATOM 3222 HW1 SOL 550 11.240 13.880 25.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3227 ATOM 3223 HW2 SOL 550 11.770 15.370 26.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3228 ATOM 3224 OW SOL 551 3.450 9.140 25.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3229 ATOM 3225 HW1 SOL 551 3.840 8.470 24.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3230 ATOM 3226 HW2 SOL 551 2.720 9.640 24.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3231 ATOM 3227 OW SOL 552 2.500 5.560 27.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3232 ATOM 3228 HW1 SOL 552 2.000 4.800 28.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3233 ATOM 3229 HW2 SOL 552 3.480 5.340 27.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3234 ATOM 3230 OW SOL 553 11.230 3.180 32.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3235 ATOM 3231 HW1 SOL 553 10.920 3.020 33.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3236 ATOM 3232 HW2 SOL 553 12.160 2.830 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3237 ATOM 3233 OW SOL 554 10.830 1.430 30.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3238 ATOM 3234 HW1 SOL 554 11.090 2.070 31.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3239 ATOM 3235 HW2 SOL 554 10.380 1.930 30.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3240 ATOM 3236 OW SOL 555 72.290 12.880 12.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3241 ATOM 3237 HW1 SOL 555 72.690 11.980 12.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3242 ATOM 3238 HW2 SOL 555 71.330 12.880 12.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3243 ATOM 3239 OW SOL 556 4.420 18.410 27.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3244 ATOM 3240 HW1 SOL 556 4.940 17.630 27.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3245 ATOM 3241 HW2 SOL 556 5.020 19.200 27.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3246 ATOM 3242 OW SOL 557 7.250 14.740 29.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3247 ATOM 3243 HW1 SOL 557 7.790 15.580 29.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3248 ATOM 3244 HW2 SOL 557 7.400 14.310 28.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3249 ATOM 3245 OW SOL 558 9.400 5.560 30.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3250 ATOM 3246 HW1 SOL 558 10.190 5.810 30.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3251 ATOM 3247 HW2 SOL 558 8.570 5.860 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3252 ATOM 3248 OW SOL 559 72.110 4.830 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3253 ATOM 3249 HW1 SOL 559 71.940 4.000 30.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3254 ATOM 3250 HW2 SOL 559 73.070 4.850 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3255 ATOM 3251 OW SOL 560 0.200 5.900 33.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3256 ATOM 3252 HW1 SOL 560 0.060 6.310 32.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3257 ATOM 3253 HW2 SOL 560 1.110 6.130 34.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3258 ATOM 3254 OW SOL 561 13.210 10.050 34.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3259 ATOM 3255 HW1 SOL 561 14.080 10.460 34.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3260 ATOM 3256 HW2 SOL 561 13.290 9.650 33.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3261 ATOM 3257 OW SOL 562 9.190 7.980 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3262 ATOM 3258 HW1 SOL 562 8.510 8.290 22.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3263 ATOM 3259 HW2 SOL 562 8.760 7.850 20.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3264 ATOM 3260 OW SOL 563 16.360 4.680 29.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3265 ATOM 3261 HW1 SOL 563 17.220 5.130 29.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3266 ATOM 3262 HW2 SOL 563 16.510 4.100 28.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3267 ATOM 3263 OW SOL 564 3.480 15.190 37.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3268 ATOM 3264 HW1 SOL 564 3.060 15.640 37.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3269 ATOM 3265 HW2 SOL 564 3.070 14.290 36.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3270 ATOM 3266 OW SOL 565 4.990 4.570 27.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3271 ATOM 3267 HW1 SOL 565 5.110 3.580 28.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3272 ATOM 3268 HW2 SOL 565 5.800 4.930 27.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3273 ATOM 3269 OW SOL 566 11.150 16.250 33.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3274 ATOM 3270 HW1 SOL 566 11.030 15.960 32.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3275 ATOM 3271 HW2 SOL 566 11.300 17.230 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3276 ATOM 3272 OW SOL 567 3.780 5.380 20.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3277 ATOM 3273 HW1 SOL 567 4.080 4.830 19.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3278 ATOM 3274 HW2 SOL 567 3.590 6.310 20.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3279 ATOM 3275 OW SOL 568 2.650 11.640 33.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3280 ATOM 3276 HW1 SOL 568 2.730 10.770 33.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3281 ATOM 3277 HW2 SOL 568 2.650 11.480 32.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3282 ATOM 3278 OW SOL 569 12.790 10.220 31.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3283 ATOM 3279 HW1 SOL 569 12.620 9.480 31.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3284 ATOM 3280 HW2 SOL 569 12.010 10.300 32.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3285 ATOM 3281 OW SOL 570 15.060 8.540 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3286 ATOM 3282 HW1 SOL 570 15.170 9.040 22.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3287 ATOM 3283 HW2 SOL 570 14.210 8.810 21.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3288 ATOM 3284 OW SOL 571 18.010 17.100 30.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3289 ATOM 3285 HW1 SOL 571 18.560 17.000 29.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3290 ATOM 3286 HW2 SOL 571 17.880 16.210 31.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3291 ATOM 3287 OW SOL 572 14.660 17.210 28.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3292 ATOM 3288 HW1 SOL 572 15.350 17.900 27.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3293 ATOM 3289 HW2 SOL 572 14.750 16.910 29.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3294 ATOM 3290 OW SOL 573 2.570 13.630 28.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3295 ATOM 3291 HW1 SOL 573 2.150 14.150 29.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3296 ATOM 3292 HW2 SOL 573 2.950 12.780 29.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3297 ATOM 3293 OW SOL 574 7.180 17.720 36.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3298 ATOM 3294 HW1 SOL 574 7.340 17.850 35.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3299 ATOM 3295 HW2 SOL 574 8.000 17.970 36.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3300 ATOM 3296 OW SOL 575 16.970 2.550 22.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3301 ATOM 3297 HW1 SOL 575 17.480 2.800 21.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3302 ATOM 3298 HW2 SOL 575 17.570 2.050 23.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3303 ATOM 3299 OW SOL 576 14.800 15.610 23.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3304 ATOM 3300 HW1 SOL 576 14.770 16.320 23.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3305 ATOM 3301 HW2 SOL 576 14.380 15.960 24.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3306 ATOM 3302 OW SOL 577 1.550 16.870 38.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3307 ATOM 3303 HW1 SOL 577 0.820 16.390 37.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3308 ATOM 3304 HW2 SOL 577 1.460 16.700 39.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3309 ATOM 3305 OW SOL 578 12.960 9.960 25.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3310 ATOM 3306 HW1 SOL 578 13.410 10.030 26.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3311 ATOM 3307 HW2 SOL 578 13.620 10.160 24.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3312 ATOM 3308 OW SOL 579 7.360 11.320 32.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3313 ATOM 3309 HW1 SOL 579 7.440 12.040 33.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3314 ATOM 3310 HW2 SOL 579 6.580 11.520 31.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3315 ATOM 3311 OW SOL 580 6.080 14.940 21.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3316 ATOM 3312 HW1 SOL 580 6.750 15.280 21.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3317 ATOM 3313 HW2 SOL 580 5.210 14.770 21.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3318 ATOM 3314 OW SOL 581 17.040 17.420 33.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3319 ATOM 3315 HW1 SOL 581 17.420 17.430 32.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3320 ATOM 3316 HW2 SOL 581 16.070 17.640 33.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3321 ATOM 3317 OW SOL 582 16.640 1.170 27.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3322 ATOM 3318 HW1 SOL 582 17.270 0.560 26.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3323 ATOM 3319 HW2 SOL 582 15.800 1.250 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3324 ATOM 3320 OW SOL 583 72.580 0.660 25.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3325 ATOM 3321 HW1 SOL 583 72.440 1.090 26.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3326 ATOM 3322 HW2 SOL 583 71.860 -0.020 25.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3327 ATOM 3323 OW SOL 584 11.690 16.190 19.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3328 ATOM 3324 HW1 SOL 584 11.670 15.520 20.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3329 ATOM 3325 HW2 SOL 584 11.590 15.710 18.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3330 ATOM 3326 OW SOL 585 8.550 9.030 31.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3331 ATOM 3327 HW1 SOL 585 8.860 9.010 30.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3332 ATOM 3328 HW2 SOL 585 8.290 9.970 32.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3333 ATOM 3329 OW SOL 586 9.910 10.790 21.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3334 ATOM 3330 HW1 SOL 586 9.960 9.800 21.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3335 ATOM 3331 HW2 SOL 586 10.650 11.080 20.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3336 ATOM 3332 OW SOL 587 14.250 17.550 19.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3337 ATOM 3333 HW1 SOL 587 13.460 16.970 19.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3338 ATOM 3334 HW2 SOL 587 14.990 17.340 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3339 ATOM 3335 OW SOL 588 3.700 14.150 33.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3340 ATOM 3336 HW1 SOL 588 3.010 14.660 34.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3341 ATOM 3337 HW2 SOL 588 3.370 13.220 33.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3342 ATOM 3338 OW SOL 589 15.420 11.370 31.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3343 ATOM 3339 HW1 SOL 589 14.420 11.420 31.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3344 ATOM 3340 HW2 SOL 589 15.740 12.110 32.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3345 ATOM 3341 OW SOL 590 10.950 12.550 24.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3346 ATOM 3342 HW1 SOL 590 10.140 12.410 24.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3347 ATOM 3343 HW2 SOL 590 11.260 11.670 25.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3348 ATOM 3344 OW SOL 591 11.060 2.670 26.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3349 ATOM 3345 HW1 SOL 591 10.290 2.730 26.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3350 ATOM 3346 HW2 SOL 591 11.340 1.720 26.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3351 ATOM 3347 OW SOL 592 5.700 12.500 22.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3352 ATOM 3348 HW1 SOL 592 6.590 12.050 22.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3353 ATOM 3349 HW2 SOL 592 5.780 13.410 22.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3354 ATOM 3350 OW SOL 593 16.560 4.940 32.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3355 ATOM 3351 HW1 SOL 593 16.920 5.850 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3356 ATOM 3352 HW2 SOL 593 16.980 4.580 32.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3357 ATOM 3353 OW SOL 594 1.470 13.910 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3358 ATOM 3354 HW1 SOL 594 0.680 14.070 20.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3359 ATOM 3355 HW2 SOL 594 1.240 14.230 22.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3360 ATOM 3356 OW SOL 595 1.950 10.270 35.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3361 ATOM 3357 HW1 SOL 595 1.340 9.650 36.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3362 ATOM 3358 HW2 SOL 595 2.890 9.940 35.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3363 ATOM 3359 OW SOL 596 6.930 2.860 31.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3364 ATOM 3360 HW1 SOL 596 6.460 2.020 31.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3365 ATOM 3361 HW2 SOL 596 7.230 2.810 30.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3366 ATOM 3362 OW SOL 597 71.090 3.130 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3367 ATOM 3363 HW1 SOL 597 71.630 3.670 18.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3368 ATOM 3364 HW2 SOL 597 70.890 3.690 19.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3369 ATOM 3365 OW SOL 598 15.400 8.770 32.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3370 ATOM 3366 HW1 SOL 598 15.240 9.720 32.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3371 ATOM 3367 HW2 SOL 598 16.090 8.370 32.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3372 ATOM 3368 OW SOL 599 71.400 1.310 20.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3373 ATOM 3369 HW1 SOL 599 71.390 1.930 19.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3374 ATOM 3370 HW2 SOL 599 72.290 0.850 20.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3375 ATOM 3371 OW SOL 600 13.760 12.980 20.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3376 ATOM 3372 HW1 SOL 600 12.850 12.790 20.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3377 ATOM 3373 HW2 SOL 600 13.700 13.110 21.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3378 ATOM 3374 OW SOL 601 5.690 8.390 31.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3379 ATOM 3375 HW1 SOL 601 6.650 8.650 31.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3380 ATOM 3376 HW2 SOL 601 5.620 7.390 31.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3381 ATOM 3377 OW SOL 602 16.920 19.590 29.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3382 ATOM 3378 HW1 SOL 602 17.370 19.960 28.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3383 ATOM 3379 HW2 SOL 602 17.430 18.800 29.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3384 ATOM 3380 OW SOL 603 6.680 5.320 33.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3385 ATOM 3381 HW1 SOL 603 6.790 4.450 33.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3386 ATOM 3382 HW2 SOL 603 7.270 5.330 34.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3387 ATOM 3383 OW SOL 604 15.630 11.060 35.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3388 ATOM 3384 HW1 SOL 604 15.230 11.060 36.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3389 ATOM 3385 HW2 SOL 604 16.600 11.310 35.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3390 ATOM 3386 OW SOL 605 3.460 18.360 36.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3391 ATOM 3387 HW1 SOL 605 2.550 18.740 36.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3392 ATOM 3388 HW2 SOL 605 3.470 17.390 36.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3393 ATOM 3389 OW SOL 606 17.450 7.560 31.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3394 ATOM 3390 HW1 SOL 606 17.670 8.440 31.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3395 ATOM 3391 HW2 SOL 606 17.980 6.840 31.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3396 ATOM 3392 OW SOL 607 12.890 3.990 22.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3397 ATOM 3393 HW1 SOL 607 13.610 4.390 22.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3398 ATOM 3394 HW2 SOL 607 12.780 4.550 23.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3399 ATOM 3395 OW SOL 608 6.960 8.150 22.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3400 ATOM 3396 HW1 SOL 608 6.720 8.840 23.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3401 ATOM 3397 HW2 SOL 608 6.260 7.440 22.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3402 ATOM 3398 OW SOL 609 17.550 3.790 35.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3403 ATOM 3399 HW1 SOL 609 17.100 4.190 34.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3404 ATOM 3400 HW2 SOL 609 16.930 3.120 35.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3405 ATOM 3401 OW SOL 610 17.630 8.810 34.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3406 ATOM 3402 HW1 SOL 610 18.000 9.740 34.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3407 ATOM 3403 HW2 SOL 610 16.880 8.730 33.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3408 ATOM 3404 OW SOL 611 9.790 13.870 18.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3409 ATOM 3405 HW1 SOL 611 10.300 14.030 19.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3410 ATOM 3406 HW2 SOL 611 10.380 14.080 18.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3411 ATOM 3407 OW SOL 612 8.830 16.950 28.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3412 ATOM 3408 HW1 SOL 612 8.430 17.870 28.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3413 ATOM 3409 HW2 SOL 612 8.920 16.580 27.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3414 ATOM 3410 OW SOL 613 7.480 10.800 27.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3415 ATOM 3411 HW1 SOL 613 8.210 11.480 27.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3416 ATOM 3412 HW2 SOL 613 6.700 11.090 27.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3417 ATOM 3413 OW SOL 614 11.710 11.570 19.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3418 ATOM 3414 HW1 SOL 614 10.970 11.510 18.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3419 ATOM 3415 HW2 SOL 614 12.280 10.750 19.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3420 ATOM 3416 OW SOL 615 19.280 14.520 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3421 ATOM 3417 HW1 SOL 615 18.540 14.410 26.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3422 ATOM 3418 HW2 SOL 615 19.160 13.860 27.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3423 ATOM 3419 OW SOL 616 1.530 13.100 36.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3424 ATOM 3420 HW1 SOL 616 1.160 12.430 36.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3425 ATOM 3421 HW2 SOL 616 1.740 12.650 37.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3426 ATOM 3422 OW SOL 617 1.830 13.980 25.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3427 ATOM 3423 HW1 SOL 617 1.910 13.490 26.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3428 ATOM 3424 HW2 SOL 617 2.340 13.500 24.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3429 ATOM 3425 OW SOL 618 7.390 14.280 33.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3430 ATOM 3426 HW1 SOL 618 6.950 14.520 34.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3431 ATOM 3427 HW2 SOL 618 7.330 15.060 32.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3432 ATOM 3428 OW SOL 619 16.830 3.900 26.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3433 ATOM 3429 HW1 SOL 619 16.770 4.650 25.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3434 ATOM 3430 HW2 SOL 619 15.990 3.360 26.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3435 ATOM 3431 OW SOL 620 1.270 3.590 24.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3436 ATOM 3432 HW1 SOL 620 1.530 3.690 23.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3437 ATOM 3433 HW2 SOL 620 1.070 2.630 24.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3438 ATOM 3434 OW SOL 621 17.960 12.460 28.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3439 ATOM 3435 HW1 SOL 621 17.250 13.060 28.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3440 ATOM 3436 HW2 SOL 621 17.550 11.610 29.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3441 ATOM 3437 OW SOL 622 2.460 5.060 31.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3442 ATOM 3438 HW1 SOL 622 2.200 4.150 30.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3443 ATOM 3439 HW2 SOL 622 2.960 4.980 31.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3444 ATOM 3440 OW SOL 623 7.720 14.650 24.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3445 ATOM 3441 HW1 SOL 623 8.020 13.720 23.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3446 ATOM 3442 HW2 SOL 623 7.150 15.020 23.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3447 ATOM 3443 OW SOL 624 15.340 1.500 29.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3448 ATOM 3444 HW1 SOL 624 14.730 0.970 29.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3449 ATOM 3445 HW2 SOL 624 15.840 2.170 29.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3450 ATOM 3446 OW SOL 625 11.460 0.310 28.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3451 ATOM 3447 HW1 SOL 625 10.920 -0.250 27.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3452 ATOM 3448 HW2 SOL 625 10.940 0.470 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3453 ATOM 3449 OW SOL 626 10.850 13.770 21.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3454 ATOM 3450 HW1 SOL 626 10.390 12.910 21.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3455 ATOM 3451 HW2 SOL 626 10.730 14.430 22.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3456 ATOM 3452 OW SOL 627 6.990 16.850 32.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3457 ATOM 3453 HW1 SOL 627 7.680 17.560 32.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3458 ATOM 3454 HW2 SOL 627 6.130 17.230 32.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3459 ATOM 3455 OW SOL 628 13.100 2.470 19.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3460 ATOM 3456 HW1 SOL 628 13.810 1.770 19.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3461 ATOM 3457 HW2 SOL 628 12.260 2.070 19.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3462 ATOM 3458 OW SOL 629 13.800 5.390 24.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3463 ATOM 3459 HW1 SOL 629 13.320 6.200 24.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3464 ATOM 3460 HW2 SOL 629 13.480 5.170 25.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3465 ATOM 3461 OW SOL 630 14.770 1.920 25.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3466 ATOM 3462 HW1 SOL 630 13.900 2.210 26.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3467 ATOM 3463 HW2 SOL 630 14.680 1.790 24.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3468 ATOM 3464 OW SOL 631 0.760 10.400 21.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3469 ATOM 3465 HW1 SOL 631 1.220 10.700 20.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3470 ATOM 3466 HW2 SOL 631 1.390 9.850 22.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3471 ATOM 3467 OW SOL 632 8.580 17.990 22.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3472 ATOM 3468 HW1 SOL 632 8.060 17.860 21.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3473 ATOM 3469 HW2 SOL 632 7.990 18.410 23.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3474 ATOM 3470 OW SOL 633 3.240 4.970 36.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3475 ATOM 3471 HW1 SOL 633 2.390 4.960 37.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3476 ATOM 3472 HW2 SOL 633 3.070 5.360 35.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3477 ATOM 3473 OW SOL 634 1.420 2.500 47.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3478 ATOM 3474 HW1 SOL 634 1.490 2.060 48.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3479 ATOM 3475 HW2 SOL 634 1.540 1.810 46.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3480 ATOM 3476 OW SOL 635 0.340 4.350 45.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3481 ATOM 3477 HW1 SOL 635 -0.580 4.610 46.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3482 ATOM 3478 HW2 SOL 635 0.750 3.730 46.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3483 ATOM 3479 OW SOL 636 4.960 13.650 50.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3484 ATOM 3480 HW1 SOL 636 4.750 13.250 51.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3485 ATOM 3481 HW2 SOL 636 4.780 14.630 50.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3486 ATOM 3482 OW SOL 637 14.610 15.860 44.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3487 ATOM 3483 HW1 SOL 637 13.830 15.230 44.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3488 ATOM 3484 HW2 SOL 637 14.730 16.110 43.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3489 ATOM 3485 OW SOL 638 8.370 8.180 41.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3490 ATOM 3486 HW1 SOL 638 9.130 8.640 42.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3491 ATOM 3487 HW2 SOL 638 7.620 8.830 41.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3492 ATOM 3488 OW SOL 639 18.580 6.300 40.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3493 ATOM 3489 HW1 SOL 639 17.860 6.650 40.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3494 ATOM 3490 HW2 SOL 639 18.830 5.380 40.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3495 ATOM 3491 OW SOL 640 4.560 12.220 48.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3496 ATOM 3492 HW1 SOL 640 4.740 12.780 48.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3497 ATOM 3493 HW2 SOL 640 5.400 12.110 47.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3498 ATOM 3494 OW SOL 641 8.580 7.040 55.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3499 ATOM 3495 HW1 SOL 641 7.750 7.240 55.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3500 ATOM 3496 HW2 SOL 641 8.640 7.680 54.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3501 ATOM 3497 OW SOL 642 6.490 11.280 44.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3502 ATOM 3498 HW1 SOL 642 6.730 11.860 45.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3503 ATOM 3499 HW2 SOL 642 5.490 11.240 44.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3504 ATOM 3500 OW SOL 643 6.050 13.860 57.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3505 ATOM 3501 HW1 SOL 643 6.980 14.050 56.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3506 ATOM 3502 HW2 SOL 643 5.920 12.880 57.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3507 ATOM 3503 OW SOL 644 2.260 14.250 48.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3508 ATOM 3504 HW1 SOL 644 1.310 13.950 48.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3509 ATOM 3505 HW2 SOL 644 2.840 13.460 48.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3510 ATOM 3506 OW SOL 645 14.510 15.120 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3511 ATOM 3507 HW1 SOL 645 15.340 15.310 50.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3512 ATOM 3508 HW2 SOL 645 13.710 15.380 50.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3513 ATOM 3509 OW SOL 646 3.330 3.610 50.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3514 ATOM 3510 HW1 SOL 646 4.230 3.540 50.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3515 ATOM 3511 HW2 SOL 646 2.630 3.670 51.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3516 ATOM 3512 OW SOL 647 15.440 5.810 44.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3517 ATOM 3513 HW1 SOL 647 15.390 6.000 43.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3518 ATOM 3514 HW2 SOL 647 14.630 6.200 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3519 ATOM 3515 OW SOL 648 1.120 15.890 40.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3520 ATOM 3516 HW1 SOL 648 1.150 15.990 41.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3521 ATOM 3517 HW2 SOL 648 1.010 14.920 40.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3522 ATOM 3518 OW SOL 649 11.850 13.520 53.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3523 ATOM 3519 HW1 SOL 649 12.430 12.720 53.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3524 ATOM 3520 HW2 SOL 649 10.910 13.240 53.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3525 ATOM 3521 OW SOL 650 3.710 13.140 41.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3526 ATOM 3522 HW1 SOL 650 2.750 13.410 41.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3527 ATOM 3523 HW2 SOL 650 3.810 12.230 41.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3528 ATOM 3524 OW SOL 651 1.740 9.710 46.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3529 ATOM 3525 HW1 SOL 651 2.120 8.780 45.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3530 ATOM 3526 HW2 SOL 651 1.900 10.130 46.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3531 ATOM 3527 OW SOL 652 5.990 17.990 51.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3532 ATOM 3528 HW1 SOL 652 5.140 18.350 52.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3533 ATOM 3529 HW2 SOL 652 6.760 18.540 52.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3534 ATOM 3530 OW SOL 653 6.890 10.310 39.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3535 ATOM 3531 HW1 SOL 653 7.230 10.510 38.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3536 ATOM 3532 HW2 SOL 653 7.390 10.860 40.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3537 ATOM 3533 OW SOL 654 15.750 0.860 50.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3538 ATOM 3534 HW1 SOL 654 16.370 0.960 50.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3539 ATOM 3535 HW2 SOL 654 15.700 -0.100 51.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3540 ATOM 3536 OW SOL 655 1.290 5.240 43.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3541 ATOM 3537 HW1 SOL 655 0.730 4.720 43.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3542 ATOM 3538 HW2 SOL 655 1.920 5.820 43.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3543 ATOM 3539 OW SOL 656 19.660 17.470 38.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3544 ATOM 3540 HW1 SOL 656 20.140 17.680 39.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3545 ATOM 3541 HW2 SOL 656 19.240 18.300 38.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3546 ATOM 3542 OW SOL 657 72.010 15.200 37.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3547 ATOM 3543 HW1 SOL 657 72.500 14.360 36.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3548 ATOM 3544 HW2 SOL 657 71.530 15.060 38.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3549 ATOM 3545 OW SOL 658 16.690 9.890 43.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3550 ATOM 3546 HW1 SOL 658 17.360 9.160 43.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3551 ATOM 3547 HW2 SOL 658 16.910 10.640 42.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3552 ATOM 3548 OW SOL 659 16.860 12.310 41.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3553 ATOM 3549 HW1 SOL 659 17.640 11.690 41.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3554 ATOM 3550 HW2 SOL 659 16.800 12.850 42.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3555 ATOM 3551 OW SOL 660 2.120 7.150 52.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3556 ATOM 3552 HW1 SOL 660 2.960 7.000 52.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3557 ATOM 3553 HW2 SOL 660 2.240 6.830 51.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3558 ATOM 3554 OW SOL 661 3.980 14.060 44.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3559 ATOM 3555 HW1 SOL 661 3.860 13.070 44.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3560 ATOM 3556 HW2 SOL 661 4.650 14.310 43.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3561 ATOM 3557 OW SOL 662 11.750 11.690 50.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3562 ATOM 3558 HW1 SOL 662 11.550 10.740 50.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3563 ATOM 3559 HW2 SOL 662 12.730 11.870 50.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3564 ATOM 3560 OW SOL 663 6.360 0.850 41.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3565 ATOM 3561 HW1 SOL 663 6.940 1.610 41.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3566 ATOM 3562 HW2 SOL 663 6.190 0.230 40.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3567 ATOM 3563 OW SOL 664 1.960 10.470 52.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3568 ATOM 3564 HW1 SOL 664 2.040 9.490 52.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3569 ATOM 3565 HW2 SOL 664 1.050 10.790 52.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3570 ATOM 3566 OW SOL 665 14.070 11.750 41.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3571 ATOM 3567 HW1 SOL 665 13.710 12.240 40.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3572 ATOM 3568 HW2 SOL 665 15.070 11.810 41.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3573 ATOM 3569 OW SOL 666 13.240 20.390 55.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3574 ATOM 3570 HW1 SOL 666 13.580 20.840 54.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3575 ATOM 3571 HW2 SOL 666 13.850 20.570 56.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3576 ATOM 3572 OW SOL 667 2.330 3.950 54.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3577 ATOM 3573 HW1 SOL 667 1.940 3.920 53.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3578 ATOM 3574 HW2 SOL 667 1.700 3.520 55.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3579 ATOM 3575 OW SOL 668 12.950 13.920 45.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3580 ATOM 3576 HW1 SOL 668 13.490 14.170 46.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3581 ATOM 3577 HW2 SOL 668 13.380 13.140 44.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3582 ATOM 3578 OW SOL 669 16.220 18.280 42.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3583 ATOM 3579 HW1 SOL 669 16.390 17.980 41.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3584 ATOM 3580 HW2 SOL 669 16.870 17.830 43.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3585 ATOM 3581 OW SOL 670 7.300 7.110 39.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3586 ATOM 3582 HW1 SOL 670 7.590 7.610 40.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3587 ATOM 3583 HW2 SOL 670 6.560 7.600 38.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3588 ATOM 3584 OW SOL 671 10.980 5.810 45.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3589 ATOM 3585 HW1 SOL 671 10.130 6.220 45.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3590 ATOM 3586 HW2 SOL 671 10.930 4.820 45.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3591 ATOM 3587 OW SOL 672 17.120 16.910 40.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3592 ATOM 3588 HW1 SOL 672 18.010 17.060 39.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3593 ATOM 3589 HW2 SOL 672 16.460 16.640 39.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3594 ATOM 3590 OW SOL 673 6.290 5.930 50.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3595 ATOM 3591 HW1 SOL 673 6.610 5.720 51.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3596 ATOM 3592 HW2 SOL 673 6.040 5.090 50.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3597 ATOM 3593 OW SOL 674 12.140 2.810 53.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3598 ATOM 3594 HW1 SOL 674 12.300 3.310 54.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3599 ATOM 3595 HW2 SOL 674 13.020 2.600 52.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3600 ATOM 3596 OW SOL 675 8.740 8.910 52.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3601 ATOM 3597 HW1 SOL 675 9.160 8.100 52.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3602 ATOM 3598 HW2 SOL 675 8.960 9.710 52.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3603 ATOM 3599 OW SOL 676 8.720 4.610 48.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3604 ATOM 3600 HW1 SOL 676 7.890 5.150 48.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3605 ATOM 3601 HW2 SOL 676 8.800 3.950 47.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3606 ATOM 3602 OW SOL 677 10.860 6.520 39.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3607 ATOM 3603 HW1 SOL 677 10.740 7.510 39.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3608 ATOM 3604 HW2 SOL 677 10.150 6.130 39.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3609 ATOM 3605 OW SOL 678 72.010 9.830 44.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3610 ATOM 3606 HW1 SOL 678 72.890 9.980 45.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3611 ATOM 3607 HW2 SOL 678 71.600 10.710 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3612 ATOM 3608 OW SOL 679 71.210 20.560 54.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3613 ATOM 3609 HW1 SOL 679 71.600 21.190 55.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3614 ATOM 3610 HW2 SOL 679 70.450 20.060 54.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3615 ATOM 3611 OW SOL 680 8.200 2.720 37.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3616 ATOM 3612 HW1 SOL 680 8.910 2.110 37.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3617 ATOM 3613 HW2 SOL 680 7.340 2.560 36.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3618 ATOM 3614 OW SOL 681 14.130 6.730 54.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3619 ATOM 3615 HW1 SOL 681 13.940 7.610 53.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3620 ATOM 3616 HW2 SOL 681 14.480 6.090 53.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3621 ATOM 3617 OW SOL 682 11.650 11.540 42.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3622 ATOM 3618 HW1 SOL 682 12.610 11.490 41.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3623 ATOM 3619 HW2 SOL 682 11.290 12.450 41.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3624 ATOM 3620 OW SOL 683 4.170 0.960 46.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3625 ATOM 3621 HW1 SOL 683 4.260 1.370 47.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3626 ATOM 3622 HW2 SOL 683 4.400 1.640 45.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3627 ATOM 3623 OW SOL 684 10.270 16.440 42.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3628 ATOM 3624 HW1 SOL 684 9.450 16.670 42.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3629 ATOM 3625 HW2 SOL 684 10.770 17.280 42.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3630 ATOM 3626 OW SOL 685 3.710 18.360 47.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3631 ATOM 3627 HW1 SOL 685 3.890 17.390 46.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3632 ATOM 3628 HW2 SOL 685 4.580 18.850 47.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3633 ATOM 3629 OW SOL 686 17.750 9.820 46.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3634 ATOM 3630 HW1 SOL 686 17.330 9.990 45.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3635 ATOM 3631 HW2 SOL 686 17.100 10.070 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3636 ATOM 3632 OW SOL 687 12.270 15.200 51.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3637 ATOM 3633 HW1 SOL 687 12.340 14.460 51.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3638 ATOM 3634 HW2 SOL 687 11.320 15.500 51.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3639 ATOM 3635 OW SOL 688 4.460 7.610 37.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3640 ATOM 3636 HW1 SOL 688 4.550 8.330 37.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3641 ATOM 3637 HW2 SOL 688 4.660 6.720 37.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3642 ATOM 3638 OW SOL 689 13.840 9.410 43.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3643 ATOM 3639 HW1 SOL 689 13.440 8.620 44.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3644 ATOM 3640 HW2 SOL 689 14.780 9.210 43.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3645 ATOM 3641 OW SOL 690 4.310 11.460 56.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3646 ATOM 3642 HW1 SOL 690 4.170 10.950 55.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3647 ATOM 3643 HW2 SOL 690 3.540 12.090 56.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3648 ATOM 3644 OW SOL 691 12.280 17.440 40.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3649 ATOM 3645 HW1 SOL 691 11.370 17.740 40.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3650 ATOM 3646 HW2 SOL 691 12.220 16.960 39.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3651 ATOM 3647 OW SOL 692 0.900 3.820 52.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3652 ATOM 3648 HW1 SOL 692 0.280 4.510 51.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3653 ATOM 3649 HW2 SOL 692 0.430 2.940 52.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3654 ATOM 3650 OW SOL 693 17.170 12.940 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3655 ATOM 3651 HW1 SOL 693 16.840 12.970 39.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3656 ATOM 3652 HW2 SOL 693 17.690 12.100 38.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3657 ATOM 3653 OW SOL 694 3.900 17.230 41.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3658 ATOM 3654 HW1 SOL 694 3.240 16.550 41.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3659 ATOM 3655 HW2 SOL 694 4.520 16.780 40.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3660 ATOM 3656 OW SOL 695 12.830 2.050 43.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3661 ATOM 3657 HW1 SOL 695 13.350 1.540 42.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3662 ATOM 3658 HW2 SOL 695 13.450 2.560 44.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3663 ATOM 3659 OW SOL 696 2.830 18.670 49.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3664 ATOM 3660 HW1 SOL 696 2.570 17.740 50.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3665 ATOM 3661 HW2 SOL 696 3.210 18.650 48.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3666 ATOM 3662 OW SOL 697 8.270 17.590 47.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3667 ATOM 3663 HW1 SOL 697 7.890 16.730 47.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3668 ATOM 3664 HW2 SOL 697 8.490 17.500 46.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3669 ATOM 3665 OW SOL 698 2.400 3.970 40.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3670 ATOM 3666 HW1 SOL 698 3.110 3.380 41.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3671 ATOM 3667 HW2 SOL 698 2.110 4.620 41.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3672 ATOM 3668 OW SOL 699 14.920 2.530 52.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3673 ATOM 3669 HW1 SOL 699 15.290 2.130 53.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3674 ATOM 3670 HW2 SOL 699 15.050 1.890 52.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3675 ATOM 3671 OW SOL 700 7.130 0.530 35.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3676 ATOM 3672 HW1 SOL 700 7.480 -0.370 35.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3677 ATOM 3673 HW2 SOL 700 7.180 1.150 34.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3678 ATOM 3674 OW SOL 701 6.610 2.930 54.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3679 ATOM 3675 HW1 SOL 701 7.420 2.350 54.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3680 ATOM 3676 HW2 SOL 701 6.160 2.800 54.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3681 ATOM 3677 OW SOL 702 6.220 15.570 47.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3682 ATOM 3678 HW1 SOL 702 5.280 15.540 47.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3683 ATOM 3679 HW2 SOL 702 6.840 15.380 46.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3684 ATOM 3680 OW SOL 703 12.450 6.300 51.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3685 ATOM 3681 HW1 SOL 703 13.320 5.820 51.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3686 ATOM 3682 HW2 SOL 703 12.600 7.170 50.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3687 ATOM 3683 OW SOL 704 7.320 15.340 45.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3688 ATOM 3684 HW1 SOL 704 7.570 14.540 44.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3689 ATOM 3685 HW2 SOL 704 6.870 16.020 44.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3690 ATOM 3686 OW SOL 705 7.220 4.170 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3691 ATOM 3687 HW1 SOL 705 7.740 4.340 43.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3692 ATOM 3688 HW2 SOL 705 7.770 3.620 45.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3693 ATOM 3689 OW SOL 706 5.420 71.850 39.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3694 ATOM 3690 HW1 SOL 706 5.480 72.370 38.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3695 ATOM 3691 HW2 SOL 706 5.390 70.870 39.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3696 ATOM 3692 OW SOL 707 14.960 11.040 38.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3697 ATOM 3693 HW1 SOL 707 14.370 10.470 38.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3698 ATOM 3694 HW2 SOL 707 14.910 11.990 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3699 ATOM 3695 OW SOL 708 3.440 71.400 36.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3700 ATOM 3696 HW1 SOL 708 3.900 72.140 37.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3701 ATOM 3697 HW2 SOL 708 4.040 70.600 36.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3702 ATOM 3698 OW SOL 709 8.250 2.650 40.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3703 ATOM 3699 HW1 SOL 709 8.090 2.470 39.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3704 ATOM 3700 HW2 SOL 709 9.120 3.130 40.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3705 ATOM 3701 OW SOL 710 9.690 6.570 51.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3706 ATOM 3702 HW1 SOL 710 9.190 5.910 51.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3707 ATOM 3703 HW2 SOL 710 10.670 6.430 51.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3708 ATOM 3704 OW SOL 711 10.660 15.410 45.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3709 ATOM 3705 HW1 SOL 711 10.510 15.820 44.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3710 ATOM 3706 HW2 SOL 711 11.530 14.920 45.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3711 ATOM 3707 OW SOL 712 3.800 11.320 44.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3712 ATOM 3708 HW1 SOL 712 3.470 11.010 45.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3713 ATOM 3709 HW2 SOL 712 3.240 10.920 43.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3714 ATOM 3710 OW SOL 713 11.330 19.020 43.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3715 ATOM 3711 HW1 SOL 713 12.130 19.480 42.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3716 ATOM 3712 HW2 SOL 713 10.900 19.620 43.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3717 ATOM 3713 OW SOL 714 10.830 3.710 35.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3718 ATOM 3714 HW1 SOL 714 10.310 4.560 35.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3719 ATOM 3715 HW2 SOL 714 11.800 3.930 35.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3720 ATOM 3716 OW SOL 715 71.280 5.260 50.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3721 ATOM 3717 HW1 SOL 715 71.110 5.260 51.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3722 ATOM 3718 HW2 SOL 715 70.990 6.140 50.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3723 ATOM 3719 OW SOL 716 4.560 1.710 48.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3724 ATOM 3720 HW1 SOL 716 4.290 0.770 48.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3725 ATOM 3721 HW2 SOL 716 3.980 2.330 49.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3726 ATOM 3722 OW SOL 717 9.060 5.540 42.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3727 ATOM 3723 HW1 SOL 717 8.940 6.510 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3728 ATOM 3724 HW2 SOL 717 9.660 5.130 41.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3729 ATOM 3725 OW SOL 718 10.260 2.990 43.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3730 ATOM 3726 HW1 SOL 718 9.880 3.420 43.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3731 ATOM 3727 HW2 SOL 718 11.170 2.620 43.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3732 ATOM 3728 OW SOL 719 14.810 11.820 44.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3733 ATOM 3729 HW1 SOL 719 14.590 11.000 44.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3734 ATOM 3730 HW2 SOL 719 15.620 12.260 44.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3735 ATOM 3731 OW SOL 720 13.220 7.010 45.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3736 ATOM 3732 HW1 SOL 720 12.340 6.550 45.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3737 ATOM 3733 HW2 SOL 720 13.500 6.980 46.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3738 ATOM 3734 OW SOL 721 18.800 8.130 43.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3739 ATOM 3735 HW1 SOL 721 19.120 7.780 43.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3740 ATOM 3736 HW2 SOL 721 18.850 7.390 42.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3741 ATOM 3737 OW SOL 722 5.260 14.990 39.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3742 ATOM 3738 HW1 SOL 722 4.720 14.490 40.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3743 ATOM 3739 HW2 SOL 722 6.090 14.470 39.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3744 ATOM 3740 OW SOL 723 17.130 13.200 43.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3745 ATOM 3741 HW1 SOL 723 18.060 12.850 43.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3746 ATOM 3742 HW2 SOL 723 17.070 14.050 44.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3747 ATOM 3743 OW SOL 724 14.700 6.130 37.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3748 ATOM 3744 HW1 SOL 724 14.120 5.820 37.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3749 ATOM 3745 HW2 SOL 724 15.640 6.190 37.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3750 ATOM 3746 OW SOL 725 5.210 0.790 37.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3751 ATOM 3747 HW1 SOL 725 5.760 0.960 36.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3752 ATOM 3748 HW2 SOL 725 4.830 1.660 37.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3753 ATOM 3749 OW SOL 726 16.070 12.470 52.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3754 ATOM 3750 HW1 SOL 726 16.230 11.500 52.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3755 ATOM 3751 HW2 SOL 726 16.900 12.990 52.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3756 ATOM 3752 OW SOL 727 10.170 14.250 49.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3757 ATOM 3753 HW1 SOL 727 9.220 14.230 49.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3758 ATOM 3754 HW2 SOL 727 10.710 13.620 49.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3759 ATOM 3755 OW SOL 728 16.680 15.570 52.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3760 ATOM 3756 HW1 SOL 728 17.110 16.400 51.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3761 ATOM 3757 HW2 SOL 728 17.360 14.860 52.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3762 ATOM 3758 OW SOL 729 9.730 11.670 47.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3763 ATOM 3759 HW1 SOL 729 10.230 12.390 47.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3764 ATOM 3760 HW2 SOL 729 10.110 11.560 46.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3765 ATOM 3761 OW SOL 730 15.550 10.790 47.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3766 ATOM 3762 HW1 SOL 730 15.430 11.330 48.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3767 ATOM 3763 HW2 SOL 730 15.110 11.260 46.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3768 ATOM 3764 OW SOL 731 7.210 1.110 49.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3769 ATOM 3765 HW1 SOL 731 6.480 1.550 49.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3770 ATOM 3766 HW2 SOL 731 7.820 1.820 49.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3771 ATOM 3767 OW SOL 732 9.030 12.330 53.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3772 ATOM 3768 HW1 SOL 732 8.090 12.540 53.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3773 ATOM 3769 HW2 SOL 732 9.030 11.810 52.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3774 ATOM 3770 OW SOL 733 7.850 11.270 42.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3775 ATOM 3771 HW1 SOL 733 7.380 11.000 43.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3776 ATOM 3772 HW2 SOL 733 8.370 12.110 42.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3777 ATOM 3773 OW SOL 734 4.150 8.670 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3778 ATOM 3774 HW1 SOL 734 4.690 8.890 50.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3779 ATOM 3775 HW2 SOL 734 4.050 7.680 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3780 ATOM 3776 OW SOL 735 11.260 5.380 48.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3781 ATOM 3777 HW1 SOL 735 11.430 5.920 49.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3782 ATOM 3778 HW2 SOL 735 10.300 5.110 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3783 ATOM 3779 OW SOL 736 0.690 15.490 52.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3784 ATOM 3780 HW1 SOL 736 1.470 15.770 52.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3785 ATOM 3781 HW2 SOL 736 1.030 15.240 53.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3786 ATOM 3782 OW SOL 737 3.980 9.640 39.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3787 ATOM 3783 HW1 SOL 737 4.890 10.030 39.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3788 ATOM 3784 HW2 SOL 737 4.060 8.740 39.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3789 ATOM 3785 OW SOL 738 4.360 3.670 44.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3790 ATOM 3786 HW1 SOL 738 3.990 3.450 43.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3791 ATOM 3787 HW2 SOL 738 5.250 4.110 44.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3792 ATOM 3788 OW SOL 739 11.880 14.340 41.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3793 ATOM 3789 HW1 SOL 739 12.790 14.740 41.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3794 ATOM 3790 HW2 SOL 739 11.320 14.960 41.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3795 ATOM 3791 OW SOL 740 11.310 16.270 47.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3796 ATOM 3792 HW1 SOL 740 10.890 15.610 48.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3797 ATOM 3793 HW2 SOL 740 10.860 16.220 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3798 ATOM 3794 OW SOL 741 14.850 6.580 41.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3799 ATOM 3795 HW1 SOL 741 13.880 6.480 41.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3800 ATOM 3796 HW2 SOL 741 14.960 7.270 40.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3801 ATOM 3797 OW SOL 742 2.310 15.870 50.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3802 ATOM 3798 HW1 SOL 742 2.060 15.520 49.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3803 ATOM 3799 HW2 SOL 742 3.310 15.820 50.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3804 ATOM 3800 OW SOL 743 4.440 7.330 53.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3805 ATOM 3801 HW1 SOL 743 5.160 7.730 53.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3806 ATOM 3802 HW2 SOL 743 4.830 6.580 54.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3807 ATOM 3803 OW SOL 744 16.440 9.630 52.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3808 ATOM 3804 HW1 SOL 744 15.480 9.410 52.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3809 ATOM 3805 HW2 SOL 744 16.970 9.280 51.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3810 ATOM 3806 OW SOL 745 8.650 1.500 54.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3811 ATOM 3807 HW1 SOL 745 9.350 2.110 55.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3812 ATOM 3808 HW2 SOL 745 9.010 0.580 54.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3813 ATOM 3809 OW SOL 746 4.300 2.130 55.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3814 ATOM 3810 HW1 SOL 746 4.060 1.220 55.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3815 ATOM 3811 HW2 SOL 746 3.900 2.820 55.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3816 ATOM 3812 OW SOL 747 2.590 10.350 48.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3817 ATOM 3813 HW1 SOL 747 3.360 10.950 48.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3818 ATOM 3814 HW2 SOL 747 2.880 9.580 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3819 ATOM 3815 OW SOL 748 8.760 8.590 44.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3820 ATOM 3816 HW1 SOL 748 8.700 7.740 44.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3821 ATOM 3817 HW2 SOL 748 9.490 8.510 43.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3822 ATOM 3818 OW SOL 749 13.110 4.780 39.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3823 ATOM 3819 HW1 SOL 749 13.280 4.230 39.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3824 ATOM 3820 HW2 SOL 749 12.260 5.300 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3825 ATOM 3821 OW SOL 750 1.780 1.160 49.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3826 ATOM 3822 HW1 SOL 750 1.300 1.400 50.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3827 ATOM 3823 HW2 SOL 750 2.330 0.340 50.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3828 ATOM 3824 OW SOL 751 71.470 14.340 50.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3829 ATOM 3825 HW1 SOL 751 70.540 14.660 50.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3830 ATOM 3826 HW2 SOL 751 72.130 14.850 51.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3831 ATOM 3827 OW SOL 752 6.200 8.070 48.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3832 ATOM 3828 HW1 SOL 752 5.910 8.350 47.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3833 ATOM 3829 HW2 SOL 752 5.560 8.430 48.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3834 ATOM 3830 OW SOL 753 17.380 9.690 55.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3835 ATOM 3831 HW1 SOL 753 17.010 9.630 54.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3836 ATOM 3832 HW2 SOL 753 16.690 9.370 55.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3837 ATOM 3833 OW SOL 754 2.160 0.250 42.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3838 ATOM 3834 HW1 SOL 754 1.910 -0.480 41.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3839 ATOM 3835 HW2 SOL 754 1.330 0.590 42.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3840 ATOM 3836 OW SOL 755 15.920 4.110 40.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3841 ATOM 3837 HW1 SOL 755 16.780 3.870 41.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3842 ATOM 3838 HW2 SOL 755 15.570 4.970 40.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3843 ATOM 3839 OW SOL 756 8.540 6.710 46.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3844 ATOM 3840 HW1 SOL 756 8.510 7.110 47.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3845 ATOM 3841 HW2 SOL 756 8.040 5.840 46.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3846 ATOM 3842 OW SOL 757 9.530 15.960 53.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3847 ATOM 3843 HW1 SOL 757 10.290 16.480 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3848 ATOM 3844 HW2 SOL 757 9.630 15.930 52.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3849 ATOM 3845 OW SOL 758 18.600 13.970 52.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3850 ATOM 3846 HW1 SOL 758 19.240 13.760 51.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3851 ATOM 3847 HW2 SOL 758 19.110 14.120 53.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3852 ATOM 3848 OW SOL 759 3.180 9.090 55.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3853 ATOM 3849 HW1 SOL 759 3.240 8.640 56.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3854 ATOM 3850 HW2 SOL 759 3.470 8.450 54.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3855 ATOM 3851 OW SOL 760 15.210 3.010 38.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3856 ATOM 3852 HW1 SOL 760 14.260 3.260 38.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3857 ATOM 3853 HW2 SOL 760 15.510 3.520 39.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3858 ATOM 3854 OW SOL 761 13.780 8.610 36.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3859 ATOM 3855 HW1 SOL 761 13.840 7.610 36.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3860 ATOM 3856 HW2 SOL 761 13.670 8.840 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3861 ATOM 3857 OW SOL 762 9.160 13.380 43.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3862 ATOM 3858 HW1 SOL 762 9.570 12.510 43.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3863 ATOM 3859 HW2 SOL 762 9.530 14.110 44.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3864 ATOM 3860 OW SOL 763 3.240 7.300 45.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3865 ATOM 3861 HW1 SOL 763 4.100 7.560 45.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3866 ATOM 3862 HW2 SOL 763 3.350 6.400 46.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3867 ATOM 3863 OW SOL 764 3.650 4.780 47.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3868 ATOM 3864 HW1 SOL 764 3.150 4.200 47.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3869 ATOM 3865 HW2 SOL 764 3.880 4.250 46.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3870 ATOM 3866 OW SOL 765 9.810 4.090 52.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3871 ATOM 3867 HW1 SOL 765 9.340 4.050 53.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3872 ATOM 3868 HW2 SOL 765 10.790 3.960 53.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3873 ATOM 3869 OW SOL 766 8.830 2.880 50.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3874 ATOM 3870 HW1 SOL 766 9.230 3.220 51.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3875 ATOM 3871 HW2 SOL 766 8.880 3.600 50.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3876 ATOM 3872 OW SOL 767 72.250 9.600 37.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3877 ATOM 3873 HW1 SOL 767 71.780 9.630 37.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3878 ATOM 3874 HW2 SOL 767 72.440 8.650 38.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3879 ATOM 3875 OW SOL 768 1.300 17.990 45.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3880 ATOM 3876 HW1 SOL 768 0.680 17.330 45.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3881 ATOM 3877 HW2 SOL 768 2.190 17.950 45.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3882 ATOM 3878 OW SOL 769 3.790 15.650 46.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3883 ATOM 3879 HW1 SOL 769 3.080 15.250 47.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3884 ATOM 3880 HW2 SOL 769 4.030 15.010 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3885 ATOM 3881 OW SOL 770 8.640 7.700 48.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3886 ATOM 3882 HW1 SOL 770 8.630 7.140 49.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3887 ATOM 3883 HW2 SOL 770 7.730 7.730 48.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3888 ATOM 3884 OW SOL 771 71.630 3.620 48.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3889 ATOM 3885 HW1 SOL 771 72.280 2.870 48.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3890 ATOM 3886 HW2 SOL 771 71.670 4.070 49.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3891 ATOM 3887 OW SOL 772 0.310 7.660 54.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3892 ATOM 3888 HW1 SOL 772 0.870 7.620 55.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3893 ATOM 3889 HW2 SOL 772 0.920 7.660 53.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3894 ATOM 3890 OW SOL 773 13.780 8.920 52.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3895 ATOM 3891 HW1 SOL 773 13.370 9.790 52.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3896 ATOM 3892 HW2 SOL 773 13.450 8.660 51.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3897 ATOM 3893 OW SOL 774 8.910 5.130 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3898 ATOM 3894 HW1 SOL 774 8.490 4.290 38.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3899 ATOM 3895 HW2 SOL 774 8.220 5.690 38.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3900 ATOM 3896 OW SOL 775 14.140 6.260 47.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3901 ATOM 3897 HW1 SOL 775 13.290 5.730 47.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3902 ATOM 3898 HW2 SOL 775 14.910 5.630 47.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3903 ATOM 3899 OW SOL 776 1.120 15.140 55.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3904 ATOM 3900 HW1 SOL 776 0.190 14.920 55.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3905 ATOM 3901 HW2 SOL 776 1.780 14.690 56.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3906 ATOM 3902 OW SOL 777 6.400 5.350 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3907 ATOM 3903 HW1 SOL 777 5.530 4.920 47.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3908 ATOM 3904 HW2 SOL 777 6.250 6.320 47.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3909 ATOM 3905 OW SOL 778 9.660 16.130 51.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3910 ATOM 3906 HW1 SOL 778 8.990 15.760 50.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3911 ATOM 3907 HW2 SOL 778 9.820 17.090 51.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3912 ATOM 3908 OW SOL 779 4.220 3.070 38.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3913 ATOM 3909 HW1 SOL 779 4.170 3.510 39.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3914 ATOM 3910 HW2 SOL 779 4.150 3.780 37.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3915 ATOM 3911 OW SOL 780 70.530 9.430 54.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3916 ATOM 3912 HW1 SOL 780 71.410 9.020 54.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3917 ATOM 3913 HW2 SOL 780 70.260 9.120 53.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3918 ATOM 3914 OW SOL 781 10.660 9.530 49.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3919 ATOM 3915 HW1 SOL 781 9.940 8.840 49.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3920 ATOM 3916 HW2 SOL 781 10.350 10.240 48.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3921 ATOM 3917 OW SOL 782 14.230 8.550 39.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3922 ATOM 3918 HW1 SOL 782 13.280 8.820 39.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3923 ATOM 3919 HW2 SOL 782 14.440 8.460 38.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3924 ATOM 3920 OW SOL 783 16.550 18.180 47.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3925 ATOM 3921 HW1 SOL 783 16.040 18.560 46.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3926 ATOM 3922 HW2 SOL 783 15.970 17.540 47.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3927 ATOM 3923 OW SOL 784 12.820 19.030 47.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3928 ATOM 3924 HW1 SOL 784 13.410 19.030 46.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3929 ATOM 3925 HW2 SOL 784 12.940 18.170 47.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3930 ATOM 3926 OW SOL 785 72.140 13.880 47.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3931 ATOM 3927 HW1 SOL 785 71.850 14.240 48.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3932 ATOM 3928 HW2 SOL 785 71.390 13.350 47.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3933 ATOM 3929 OW SOL 786 6.760 15.820 53.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3934 ATOM 3930 HW1 SOL 786 6.450 16.520 52.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3935 ATOM 3931 HW2 SOL 786 7.740 15.910 53.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3936 ATOM 3932 OW SOL 787 18.390 3.250 41.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3937 ATOM 3933 HW1 SOL 787 18.840 3.530 40.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3938 ATOM 3934 HW2 SOL 787 18.730 2.350 42.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3939 ATOM 3935 OW SOL 788 14.160 15.690 41.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3940 ATOM 3936 HW1 SOL 788 14.950 15.770 40.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3941 ATOM 3937 HW2 SOL 788 13.460 16.340 41.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3942 ATOM 3938 OW SOL 789 70.770 17.310 55.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3943 ATOM 3939 HW1 SOL 789 70.850 16.580 56.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3944 ATOM 3940 HW2 SOL 789 71.670 17.710 55.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3945 ATOM 3941 OW SOL 790 10.860 9.130 42.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3946 ATOM 3942 HW1 SOL 790 11.720 8.720 42.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3947 ATOM 3943 HW2 SOL 790 11.020 10.090 42.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3948 ATOM 3944 OW SOL 791 7.770 13.980 50.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3949 ATOM 3945 HW1 SOL 791 7.830 13.980 51.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3950 ATOM 3946 HW2 SOL 791 6.820 13.820 50.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3951 ATOM 3947 OW SOL 792 6.890 17.050 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3952 ATOM 3948 HW1 SOL 792 6.920 17.300 37.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3953 ATOM 3949 HW2 SOL 792 6.130 16.410 38.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3954 ATOM 3950 OW SOL 793 17.240 18.300 51.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3955 ATOM 3951 HW1 SOL 793 17.770 18.360 50.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3956 ATOM 3952 HW2 SOL 793 16.360 18.770 51.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3957 ATOM 3953 OW SOL 794 19.350 2.220 44.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3958 ATOM 3954 HW1 SOL 794 18.880 1.490 44.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3959 ATOM 3955 HW2 SOL 794 18.770 3.040 44.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3960 ATOM 3956 OW SOL 795 0.010 0.950 44.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3961 ATOM 3957 HW1 SOL 795 0.490 0.750 45.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3962 ATOM 3958 HW2 SOL 795 -0.730 1.600 44.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3963 ATOM 3959 OW SOL 796 12.390 15.770 38.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3964 ATOM 3960 HW1 SOL 796 12.430 14.790 38.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3965 ATOM 3961 HW2 SOL 796 11.930 15.880 37.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3966 ATOM 3962 OW SOL 797 9.150 11.010 51.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3967 ATOM 3963 HW1 SOL 797 10.040 11.400 51.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3968 ATOM 3964 HW2 SOL 797 8.540 11.100 50.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3969 ATOM 3965 OW SOL 798 10.780 9.110 39.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3970 ATOM 3966 HW1 SOL 798 11.110 9.850 39.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3971 ATOM 3967 HW2 SOL 798 9.810 9.230 39.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3972 ATOM 3968 OW SOL 799 15.100 15.850 38.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3973 ATOM 3969 HW1 SOL 799 14.120 16.020 38.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3974 ATOM 3970 HW2 SOL 799 15.420 15.280 37.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3975 ATOM 3971 OW SOL 800 3.640 12.530 52.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3976 ATOM 3972 HW1 SOL 800 2.980 13.130 53.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3977 ATOM 3973 HW2 SOL 800 3.190 11.660 52.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3978 ATOM 3974 OW SOL 801 14.360 12.230 49.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3979 ATOM 3975 HW1 SOL 801 15.190 11.910 50.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3980 ATOM 3976 HW2 SOL 801 14.230 13.200 50.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3981 ATOM 3977 OW SOL 802 9.840 11.120 44.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3982 ATOM 3978 HW1 SOL 802 9.330 10.260 44.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3983 ATOM 3979 HW2 SOL 802 10.700 10.940 44.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3984 ATOM 3980 OW SOL 803 8.930 2.950 46.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3985 ATOM 3981 HW1 SOL 803 9.640 3.130 45.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3986 ATOM 3982 HW2 SOL 803 8.670 1.990 46.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3987 ATOM 3983 OW SOL 804 5.980 16.210 42.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3988 ATOM 3984 HW1 SOL 804 6.700 16.280 42.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3989 ATOM 3985 HW2 SOL 804 5.140 16.620 42.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3990 ATOM 3986 OW SOL 805 17.260 5.080 50.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3991 ATOM 3987 HW1 SOL 805 16.840 4.720 49.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3992 ATOM 3988 HW2 SOL 805 18.190 5.380 50.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3993 ATOM 3989 OW SOL 806 1.790 11.280 38.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3994 ATOM 3990 HW1 SOL 806 0.990 10.700 38.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3995 ATOM 3991 HW2 SOL 806 2.600 10.700 39.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3996 ATOM 3992 OW SOL 807 0.500 10.320 56.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3997 ATOM 3993 HW1 SOL 807 0.350 9.610 57.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3998 ATOM 3994 HW2 SOL 807 1.390 10.170 55.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
3999 ATOM 3995 OW SOL 808 5.670 2.860 51.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4000 ATOM 3996 HW1 SOL 808 6.450 2.400 51.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4001 ATOM 3997 HW2 SOL 808 5.760 2.820 52.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4002 ATOM 3998 OW SOL 809 72.540 3.270 34.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4003 ATOM 3999 HW1 SOL 809 71.630 2.960 34.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4004 ATOM 4000 HW2 SOL 809 72.620 4.250 34.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4005 ATOM 4001 OW SOL 810 12.970 8.540 50.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4006 ATOM 4002 HW1 SOL 810 12.280 9.020 49.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4007 ATOM 4003 HW2 SOL 810 13.850 8.550 49.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4008 ATOM 4004 OW SOL 811 1.460 0.240 37.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4009 ATOM 4005 HW1 SOL 811 1.700 0.940 37.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4010 ATOM 4006 HW2 SOL 811 1.940 -0.610 37.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4011 ATOM 4007 OW SOL 812 12.750 12.900 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4012 ATOM 4008 HW1 SOL 812 12.300 12.380 38.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4013 ATOM 4009 HW2 SOL 812 12.120 13.020 39.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4014 ATOM 4010 OW SOL 813 6.160 8.550 52.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4015 ATOM 4011 HW1 SOL 813 7.040 8.880 52.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4016 ATOM 4012 HW2 SOL 813 6.310 7.730 51.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4017 ATOM 4013 OW SOL 814 14.680 18.580 45.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4018 ATOM 4014 HW1 SOL 814 15.150 19.190 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4019 ATOM 4015 HW2 SOL 814 14.650 17.660 44.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4020 ATOM 4016 OW SOL 815 7.050 5.510 53.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4021 ATOM 4017 HW1 SOL 815 7.820 5.780 53.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4022 ATOM 4018 HW2 SOL 815 6.790 4.570 53.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4023 ATOM 4019 OW SOL 816 13.680 11.530 53.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4024 ATOM 4020 HW1 SOL 816 13.800 11.610 54.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4025 ATOM 4021 HW2 SOL 816 14.350 12.120 53.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4026 ATOM 4022 OW SOL 817 3.800 18.530 53.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4027 ATOM 4023 HW1 SOL 817 3.030 18.130 53.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4028 ATOM 4024 HW2 SOL 817 4.090 19.360 53.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4029 ATOM 4025 OW SOL 818 15.390 8.580 48.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4030 ATOM 4026 HW1 SOL 818 14.880 7.840 48.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4031 ATOM 4027 HW2 SOL 818 15.560 9.300 47.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4032 ATOM 4028 OW SOL 819 10.960 3.800 41.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4033 ATOM 4029 HW1 SOL 819 11.520 3.080 40.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4034 ATOM 4030 HW2 SOL 819 11.560 4.500 41.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4035 ATOM 4031 OW SOL 820 5.950 8.590 45.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4036 ATOM 4032 HW1 SOL 820 6.200 9.440 45.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4037 ATOM 4033 HW2 SOL 820 6.710 7.950 45.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4038 ATOM 4034 OW SOL 821 14.890 5.090 51.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4039 ATOM 4035 HW1 SOL 821 15.780 5.090 51.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4040 ATOM 4036 HW2 SOL 821 14.760 4.230 52.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4041 ATOM 4037 OW SOL 822 17.510 8.580 50.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4042 ATOM 4038 HW1 SOL 822 17.880 9.490 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4043 ATOM 4039 HW2 SOL 822 16.710 8.430 49.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4044 ATOM 4040 OW SOL 823 8.770 12.690 38.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4045 ATOM 4041 HW1 SOL 823 8.640 13.370 38.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4046 ATOM 4042 HW2 SOL 823 9.290 13.090 37.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4047 ATOM 4043 OW SOL 824 6.240 19.440 47.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4048 ATOM 4044 HW1 SOL 824 6.570 19.830 46.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4049 ATOM 4045 HW2 SOL 824 6.850 18.690 47.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4050 ATOM 4046 OW SOL 825 7.100 12.390 47.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4051 ATOM 4047 HW1 SOL 825 7.830 11.740 46.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4052 ATOM 4048 HW2 SOL 825 7.450 13.060 47.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4053 ATOM 4049 OW SOL 826 11.900 10.810 37.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4054 ATOM 4050 HW1 SOL 826 11.110 10.570 37.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4055 ATOM 4051 HW2 SOL 826 12.700 10.300 37.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4056 ATOM 4052 OW SOL 827 16.660 15.320 45.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4057 ATOM 4053 HW1 SOL 827 15.890 15.780 45.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4058 ATOM 4054 HW2 SOL 827 16.400 15.020 46.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4059 ATOM 4055 OW SOL 828 1.780 12.940 57.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4060 ATOM 4056 HW1 SOL 828 1.380 12.040 56.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4061 ATOM 4057 HW2 SOL 828 1.210 13.430 57.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4062 ATOM 4058 OW SOL 829 2.650 10.190 42.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4063 ATOM 4059 HW1 SOL 829 1.700 9.900 42.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4064 ATOM 4060 HW2 SOL 829 3.190 10.000 41.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4065 ATOM 4061 OW SOL 830 6.380 13.240 53.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4066 ATOM 4062 HW1 SOL 830 5.480 12.830 53.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4067 ATOM 4063 HW2 SOL 830 6.370 14.200 53.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4068 ATOM 4064 OW SOL 831 17.270 0.950 48.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4069 ATOM 4065 HW1 SOL 831 17.690 1.790 48.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4070 ATOM 4066 HW2 SOL 831 16.920 0.420 47.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4071 ATOM 4067 OW SOL 832 4.130 2.560 42.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4072 ATOM 4068 HW1 SOL 832 5.050 2.230 41.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4073 ATOM 4069 HW2 SOL 832 3.490 1.780 42.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4074 ATOM 4070 OW SOL 833 13.930 16.560 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4075 ATOM 4071 HW1 SOL 833 12.960 16.530 47.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4076 ATOM 4072 HW2 SOL 833 14.120 15.870 48.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4077 ATOM 4073 OW SOL 834 2.840 6.370 49.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4078 ATOM 4074 HW1 SOL 834 2.960 5.370 49.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4079 ATOM 4075 HW2 SOL 834 2.540 6.620 49.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4080 ATOM 4076 OW SOL 835 8.620 17.930 44.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4081 ATOM 4077 HW1 SOL 835 8.430 16.960 44.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4082 ATOM 4078 HW2 SOL 835 8.270 18.450 43.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4083 ATOM 4079 OW SOL 836 12.110 3.690 46.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4084 ATOM 4080 HW1 SOL 836 11.630 2.810 46.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4085 ATOM 4081 HW2 SOL 836 11.910 4.170 47.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4086 ATOM 4082 OW SOL 837 8.600 0.260 45.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4087 ATOM 4083 HW1 SOL 837 8.070 -0.520 46.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4088 ATOM 4084 HW2 SOL 837 9.560 -0.010 45.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4089 ATOM 4085 OW SOL 838 8.460 13.630 40.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4090 ATOM 4086 HW1 SOL 838 7.750 13.090 41.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4091 ATOM 4087 HW2 SOL 838 9.190 13.810 41.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4092 ATOM 4088 OW SOL 839 5.080 16.260 50.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4093 ATOM 4089 HW1 SOL 839 5.430 17.010 50.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4094 ATOM 4090 HW2 SOL 839 5.710 16.090 49.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4095 ATOM 4091 OW SOL 840 12.930 2.040 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4096 ATOM 4092 HW1 SOL 840 13.890 2.060 40.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4097 ATOM 4093 HW2 SOL 840 12.690 1.110 39.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4098 ATOM 4094 OW SOL 841 12.200 6.370 42.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4099 ATOM 4095 HW1 SOL 841 11.610 6.520 41.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4100 ATOM 4096 HW2 SOL 841 11.640 6.260 43.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4101 ATOM 4097 OW SOL 842 14.350 3.620 45.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4102 ATOM 4098 HW1 SOL 842 13.540 3.880 45.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4103 ATOM 4099 HW2 SOL 842 14.760 4.440 44.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4104 ATOM 4100 OW SOL 843 0.320 6.940 39.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4105 ATOM 4101 HW1 SOL 843 0.710 6.080 38.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4106 ATOM 4102 HW2 SOL 843 0.050 6.840 40.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4107 ATOM 4103 OW SOL 844 8.090 17.150 41.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4108 ATOM 4104 HW1 SOL 844 7.780 17.040 40.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4109 ATOM 4105 HW2 SOL 844 7.980 18.110 41.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4110 ATOM 4106 OW SOL 845 3.150 7.150 57.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4111 ATOM 4107 HW1 SOL 845 3.740 7.390 58.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4112 ATOM 4108 HW2 SOL 845 2.190 7.250 58.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4113 ATOM 4109 OW SOL 846 4.340 0.460 63.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4114 ATOM 4110 HW1 SOL 846 4.390 -0.510 62.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4115 ATOM 4111 HW2 SOL 846 5.270 0.840 63.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4116 ATOM 4112 OW SOL 847 72.290 4.070 63.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4117 ATOM 4113 HW1 SOL 847 71.430 4.420 63.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4118 ATOM 4114 HW2 SOL 847 72.270 4.140 64.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4119 ATOM 4115 OW SOL 848 5.670 12.340 66.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4120 ATOM 4116 HW1 SOL 848 4.920 12.490 65.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4121 ATOM 4117 HW2 SOL 848 6.100 13.210 66.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4122 ATOM 4118 OW SOL 849 16.110 15.550 63.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4123 ATOM 4119 HW1 SOL 849 15.280 15.170 63.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4124 ATOM 4120 HW2 SOL 849 15.870 16.220 62.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4125 ATOM 4121 OW SOL 850 10.140 8.750 62.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4126 ATOM 4122 HW1 SOL 850 10.780 9.510 62.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4127 ATOM 4123 HW2 SOL 850 9.490 8.740 63.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4128 ATOM 4124 OW SOL 851 16.880 6.610 55.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4129 ATOM 4125 HW1 SOL 851 16.080 6.890 54.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4130 ATOM 4126 HW2 SOL 851 16.580 6.250 56.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4131 ATOM 4127 OW SOL 852 8.130 11.560 64.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4132 ATOM 4128 HW1 SOL 852 7.240 11.620 65.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4133 ATOM 4129 HW2 SOL 852 8.420 12.460 64.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4134 ATOM 4130 OW SOL 853 9.300 5.990 71.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4135 ATOM 4131 HW1 SOL 853 9.050 6.100 72.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4136 ATOM 4132 HW2 SOL 853 10.210 6.370 71.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4137 ATOM 4133 OW SOL 854 5.130 10.440 63.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4138 ATOM 4134 HW1 SOL 854 6.010 10.920 63.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4139 ATOM 4135 HW2 SOL 854 4.440 11.030 63.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4140 ATOM 4136 OW SOL 855 2.650 14.220 66.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4141 ATOM 4137 HW1 SOL 855 2.490 13.510 65.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4142 ATOM 4138 HW2 SOL 855 3.180 14.960 65.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4143 ATOM 4139 OW SOL 856 13.970 13.010 70.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4144 ATOM 4140 HW1 SOL 856 14.060 14.000 70.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4145 ATOM 4141 HW2 SOL 856 13.040 12.790 71.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4146 ATOM 4142 OW SOL 857 5.930 3.050 71.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4147 ATOM 4143 HW1 SOL 857 6.830 3.140 72.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4148 ATOM 4144 HW2 SOL 857 6.030 2.980 70.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4149 ATOM 4145 OW SOL 858 13.980 6.300 62.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4150 ATOM 4146 HW1 SOL 858 13.480 6.310 63.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4151 ATOM 4147 HW2 SOL 858 13.610 6.990 61.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4152 ATOM 4148 OW SOL 859 3.350 17.540 60.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4153 ATOM 4149 HW1 SOL 859 2.840 18.290 60.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4154 ATOM 4150 HW2 SOL 859 3.070 17.410 59.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4155 ATOM 4151 OW SOL 860 0.920 15.720 61.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4156 ATOM 4152 HW1 SOL 860 1.590 16.370 61.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4157 ATOM 4153 HW2 SOL 860 0.420 15.300 62.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4158 ATOM 4154 OW SOL 861 1.690 11.980 64.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4159 ATOM 4155 HW1 SOL 861 1.950 11.230 65.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4160 ATOM 4156 HW2 SOL 861 0.730 12.220 64.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4161 ATOM 4157 OW SOL 862 6.550 15.030 69.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4162 ATOM 4158 HW1 SOL 862 5.800 15.190 70.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4163 ATOM 4159 HW2 SOL 862 7.350 15.550 70.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4164 ATOM 4160 OW SOL 863 5.150 9.340 58.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4165 ATOM 4161 HW1 SOL 863 4.710 10.060 57.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4166 ATOM 4162 HW2 SOL 863 5.370 9.680 59.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4167 ATOM 4163 OW SOL 864 14.190 1.420 68.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4168 ATOM 4164 HW1 SOL 864 15.130 1.450 68.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4169 ATOM 4165 HW2 SOL 864 14.150 1.790 69.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4170 ATOM 4166 OW SOL 865 0.510 6.610 62.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4171 ATOM 4167 HW1 SOL 865 0.500 5.630 62.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4172 ATOM 4168 HW2 SOL 865 0.140 7.090 63.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4173 ATOM 4169 OW SOL 866 20.200 18.870 60.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4174 ATOM 4170 HW1 SOL 866 20.610 18.060 60.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4175 ATOM 4171 HW2 SOL 866 20.770 19.170 59.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4176 ATOM 4172 OW SOL 867 71.280 15.600 57.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4177 ATOM 4173 HW1 SOL 867 70.510 14.990 57.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4178 ATOM 4174 HW2 SOL 867 71.230 16.400 58.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4179 ATOM 4175 OW SOL 868 14.590 10.050 62.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4180 ATOM 4176 HW1 SOL 868 13.780 9.790 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4181 ATOM 4177 HW2 SOL 868 14.800 11.010 62.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4182 ATOM 4178 OW SOL 869 16.080 12.310 59.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4183 ATOM 4179 HW1 SOL 869 16.730 11.630 58.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4184 ATOM 4180 HW2 SOL 869 16.570 12.980 59.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4185 ATOM 4181 OW SOL 870 72.460 5.640 70.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4186 ATOM 4182 HW1 SOL 870 73.170 6.040 71.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4187 ATOM 4183 HW2 SOL 870 71.740 6.310 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4188 ATOM 4184 OW SOL 871 5.370 14.490 63.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4189 ATOM 4185 HW1 SOL 871 4.790 13.790 63.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4190 ATOM 4186 HW2 SOL 871 5.870 14.980 62.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4191 ATOM 4187 OW SOL 872 11.190 12.460 71.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4192 ATOM 4188 HW1 SOL 872 11.380 11.800 70.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4193 ATOM 4189 HW2 SOL 872 10.210 12.470 71.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4194 ATOM 4190 OW SOL 873 10.340 1.710 61.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4195 ATOM 4191 HW1 SOL 873 10.930 2.470 61.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4196 ATOM 4192 HW2 SOL 873 9.660 2.030 60.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4197 ATOM 4193 OW SOL 874 72.430 9.090 69.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4198 ATOM 4194 HW1 SOL 874 73.400 8.940 69.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4199 ATOM 4195 HW2 SOL 874 71.890 9.010 68.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4200 ATOM 4196 OW SOL 875 15.300 9.510 57.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4201 ATOM 4197 HW1 SOL 875 14.400 9.300 57.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4202 ATOM 4198 HW2 SOL 875 16.010 9.240 58.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4203 ATOM 4199 OW SOL 876 10.860 21.040 72.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4204 ATOM 4200 HW1 SOL 876 10.660 21.250 71.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4205 ATOM 4201 HW2 SOL 876 11.740 20.570 72.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4206 ATOM 4202 OW SOL 877 71.910 2.840 0.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4207 ATOM 4203 HW1 SOL 877 72.770 3.350 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4208 ATOM 4204 HW2 SOL 877 72.010 2.050 0.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4209 ATOM 4205 OW SOL 878 14.030 14.380 64.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4210 ATOM 4206 HW1 SOL 878 13.660 14.370 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4211 ATOM 4207 HW2 SOL 878 14.480 13.510 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4212 ATOM 4208 OW SOL 879 17.770 20.350 60.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4213 ATOM 4209 HW1 SOL 879 18.450 19.630 60.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4214 ATOM 4210 HW2 SOL 879 18.030 21.170 60.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4215 ATOM 4211 OW SOL 880 6.470 7.360 56.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4216 ATOM 4212 HW1 SOL 880 6.120 8.090 57.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4217 ATOM 4213 HW2 SOL 880 5.720 6.750 56.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4218 ATOM 4214 OW SOL 881 12.140 5.550 64.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4219 ATOM 4215 HW1 SOL 881 11.270 5.710 64.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4220 ATOM 4216 HW2 SOL 881 12.220 4.590 64.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4221 ATOM 4217 OW SOL 882 15.940 18.570 58.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4222 ATOM 4218 HW1 SOL 882 16.770 19.080 59.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4223 ATOM 4219 HW2 SOL 882 16.120 18.000 58.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4224 ATOM 4220 OW SOL 883 4.580 4.660 69.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4225 ATOM 4221 HW1 SOL 883 4.010 4.320 68.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4226 ATOM 4222 HW2 SOL 883 4.130 4.480 69.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4227 ATOM 4223 OW SOL 884 11.820 6.710 71.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4228 ATOM 4224 HW1 SOL 884 11.890 5.770 70.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4229 ATOM 4225 HW2 SOL 884 12.250 7.320 70.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4230 ATOM 4226 OW SOL 885 11.040 3.020 67.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4231 ATOM 4227 HW1 SOL 885 11.950 3.410 67.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4232 ATOM 4228 HW2 SOL 885 10.630 2.880 66.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4233 ATOM 4229 OW SOL 886 8.450 8.840 60.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4234 ATOM 4230 HW1 SOL 886 9.060 8.750 60.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4235 ATOM 4231 HW2 SOL 886 8.130 7.940 59.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4236 ATOM 4232 OW SOL 887 0.280 7.210 65.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4237 ATOM 4233 HW1 SOL 887 1.270 7.190 65.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4238 ATOM 4234 HW2 SOL 887 -0.120 8.010 65.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4239 ATOM 4235 OW SOL 888 0.740 19.970 70.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4240 ATOM 4236 HW1 SOL 888 1.550 19.620 70.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4241 ATOM 4237 HW2 SOL 888 0.580 20.920 70.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4242 ATOM 4238 OW SOL 889 9.510 3.980 58.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4243 ATOM 4239 HW1 SOL 889 9.490 4.100 57.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4244 ATOM 4240 HW2 SOL 889 8.990 3.150 58.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4245 ATOM 4241 OW SOL 890 13.540 12.440 59.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4246 ATOM 4242 HW1 SOL 890 14.500 12.470 59.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4247 ATOM 4243 HW2 SOL 890 13.210 13.360 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4248 ATOM 4244 OW SOL 891 6.560 1.870 63.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4249 ATOM 4245 HW1 SOL 891 6.910 1.610 64.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4250 ATOM 4246 HW2 SOL 891 5.930 2.640 63.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4251 ATOM 4247 OW SOL 892 9.580 14.870 60.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4252 ATOM 4248 HW1 SOL 892 9.630 15.600 59.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4253 ATOM 4249 HW2 SOL 892 10.470 14.740 60.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4254 ATOM 4250 OW SOL 893 2.350 17.940 63.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4255 ATOM 4251 HW1 SOL 893 3.080 17.390 64.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4256 ATOM 4252 HW2 SOL 893 2.520 18.910 63.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4257 ATOM 4253 OW SOL 894 16.510 8.030 61.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4258 ATOM 4254 HW1 SOL 894 16.000 8.790 61.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4259 ATOM 4255 HW2 SOL 894 15.930 7.220 61.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4260 ATOM 4256 OW SOL 895 11.410 15.370 71.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4261 ATOM 4257 HW1 SOL 895 11.440 14.370 70.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4262 ATOM 4258 HW2 SOL 895 11.300 15.810 70.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4263 ATOM 4259 OW SOL 896 2.270 10.140 60.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4264 ATOM 4260 HW1 SOL 896 2.710 11.030 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4265 ATOM 4261 HW2 SOL 896 2.950 9.450 60.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4266 ATOM 4262 OW SOL 897 13.330 9.020 64.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4267 ATOM 4263 HW1 SOL 897 13.740 8.110 65.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4268 ATOM 4264 HW2 SOL 897 13.880 9.530 64.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4269 ATOM 4265 OW SOL 898 7.530 9.830 1.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4270 ATOM 4266 HW1 SOL 898 7.600 9.240 2.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4271 ATOM 4267 HW2 SOL 898 7.960 9.390 0.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4272 ATOM 4268 OW SOL 899 11.750 17.990 58.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4273 ATOM 4269 HW1 SOL 899 11.780 18.080 57.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4274 ATOM 4270 HW2 SOL 899 10.960 17.440 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4275 ATOM 4271 OW SOL 900 2.820 2.620 68.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4276 ATOM 4272 HW1 SOL 900 2.980 2.340 69.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4277 ATOM 4273 HW2 SOL 900 1.840 2.620 68.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4278 ATOM 4274 OW SOL 901 15.520 15.550 54.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4279 ATOM 4275 HW1 SOL 901 15.990 15.650 53.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4280 ATOM 4276 HW2 SOL 901 14.550 15.770 54.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4281 ATOM 4277 OW SOL 902 3.370 17.600 57.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4282 ATOM 4278 HW1 SOL 902 3.910 18.380 56.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4283 ATOM 4279 HW2 SOL 902 3.890 16.750 57.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4284 ATOM 4280 OW SOL 903 14.000 2.600 60.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4285 ATOM 4281 HW1 SOL 903 13.230 1.970 60.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4286 ATOM 4282 HW2 SOL 903 14.570 2.540 59.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4287 ATOM 4283 OW SOL 904 2.430 16.940 68.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4288 ATOM 4284 HW1 SOL 904 2.620 17.490 69.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4289 ATOM 4285 HW2 SOL 904 3.060 16.160 68.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4290 ATOM 4286 OW SOL 905 10.440 17.900 64.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4291 ATOM 4287 HW1 SOL 905 11.100 17.200 64.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4292 ATOM 4288 HW2 SOL 905 9.610 17.800 63.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4293 ATOM 4289 OW SOL 906 3.070 7.360 60.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4294 ATOM 4290 HW1 SOL 906 3.670 7.130 61.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4295 ATOM 4291 HW2 SOL 906 2.180 6.910 60.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4296 ATOM 4292 OW SOL 907 7.340 0.910 57.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4297 ATOM 4293 HW1 SOL 907 7.690 1.160 56.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4298 ATOM 4294 HW2 SOL 907 6.540 0.330 57.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4299 ATOM 4295 OW SOL 908 11.190 1.810 71.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4300 ATOM 4296 HW1 SOL 908 10.430 1.750 71.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4301 ATOM 4297 HW2 SOL 908 10.900 1.460 72.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4302 ATOM 4298 OW SOL 909 9.970 14.430 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4303 ATOM 4299 HW1 SOL 909 9.540 14.460 65.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4304 ATOM 4300 HW2 SOL 909 9.470 13.800 67.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4305 ATOM 4301 OW SOL 910 15.560 5.680 69.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4306 ATOM 4302 HW1 SOL 910 16.170 5.050 68.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4307 ATOM 4303 HW2 SOL 910 16.100 6.430 69.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4308 ATOM 4304 OW SOL 911 8.240 14.190 64.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4309 ATOM 4305 HW1 SOL 911 8.940 14.600 63.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4310 ATOM 4306 HW2 SOL 911 7.340 14.480 64.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4311 ATOM 4307 OW SOL 912 8.730 5.210 64.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4312 ATOM 4308 HW1 SOL 912 8.740 5.600 63.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4313 ATOM 4309 HW2 SOL 912 9.190 4.320 64.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4314 ATOM 4310 OW SOL 913 8.300 1.700 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4315 ATOM 4311 HW1 SOL 913 7.660 1.340 60.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4316 ATOM 4312 HW2 SOL 913 8.050 1.370 58.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4317 ATOM 4313 OW SOL 914 14.520 11.970 56.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4318 ATOM 4314 HW1 SOL 914 14.630 11.170 56.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4319 ATOM 4315 HW2 SOL 914 14.070 12.700 56.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4320 ATOM 4316 OW SOL 915 4.840 1.960 58.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4321 ATOM 4317 HW1 SOL 915 5.770 1.670 58.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4322 ATOM 4318 HW2 SOL 915 4.690 1.910 57.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4323 ATOM 4319 OW SOL 916 11.640 5.190 59.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4324 ATOM 4320 HW1 SOL 916 10.960 4.600 59.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4325 ATOM 4321 HW2 SOL 916 11.380 5.360 60.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4326 ATOM 4322 OW SOL 917 12.350 4.170 70.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4327 ATOM 4323 HW1 SOL 917 13.330 4.230 70.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4328 ATOM 4324 HW2 SOL 917 12.090 3.220 70.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4329 ATOM 4325 OW SOL 918 12.680 16.760 63.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4330 ATOM 4326 HW1 SOL 918 13.110 17.630 62.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4331 ATOM 4327 HW2 SOL 918 13.260 16.260 63.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4332 ATOM 4328 OW SOL 919 3.600 12.450 62.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4333 ATOM 4329 HW1 SOL 919 2.870 12.490 63.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4334 ATOM 4330 HW2 SOL 919 3.210 12.500 61.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4335 ATOM 4331 OW SOL 920 14.160 19.000 63.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4336 ATOM 4332 HW1 SOL 920 14.650 19.770 62.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4337 ATOM 4333 HW2 SOL 920 14.620 18.740 63.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4338 ATOM 4334 OW SOL 921 9.510 4.580 55.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4339 ATOM 4335 HW1 SOL 921 9.250 5.510 55.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4340 ATOM 4336 HW2 SOL 921 10.470 4.560 56.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4341 ATOM 4337 OW SOL 922 72.050 3.920 68.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4342 ATOM 4338 HW1 SOL 922 72.520 4.100 67.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4343 ATOM 4339 HW2 SOL 922 72.270 4.630 69.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4344 ATOM 4340 OW SOL 923 7.010 1.420 66.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4345 ATOM 4341 HW1 SOL 923 7.760 0.880 66.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4346 ATOM 4342 HW2 SOL 923 6.140 1.060 66.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4347 ATOM 4343 OW SOL 924 8.330 4.950 61.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4348 ATOM 4344 HW1 SOL 924 8.170 5.270 61.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4349 ATOM 4345 HW2 SOL 924 7.540 4.440 62.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4350 ATOM 4346 OW SOL 925 12.040 3.530 62.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4351 ATOM 4347 HW1 SOL 925 12.800 3.640 61.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4352 ATOM 4348 HW2 SOL 925 11.800 4.410 62.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4353 ATOM 4349 OW SOL 926 15.950 12.520 64.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4354 ATOM 4350 HW1 SOL 926 16.010 11.640 64.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4355 ATOM 4351 HW2 SOL 926 16.690 12.590 63.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4356 ATOM 4352 OW SOL 927 14.610 6.810 65.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4357 ATOM 4353 HW1 SOL 927 13.980 6.060 65.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4358 ATOM 4354 HW2 SOL 927 15.560 6.480 65.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4359 ATOM 4355 OW SOL 928 17.520 8.110 58.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4360 ATOM 4356 HW1 SOL 928 18.200 7.390 58.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4361 ATOM 4357 HW2 SOL 928 17.060 8.240 59.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4362 ATOM 4358 OW SOL 929 4.840 14.820 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4363 ATOM 4359 HW1 SOL 929 4.430 15.730 60.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4364 ATOM 4360 HW2 SOL 929 5.160 14.700 59.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4365 ATOM 4361 OW SOL 930 17.090 13.820 61.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4366 ATOM 4362 HW1 SOL 930 17.670 13.220 61.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4367 ATOM 4363 HW2 SOL 930 16.670 14.520 61.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4368 ATOM 4364 OW SOL 931 12.420 4.630 55.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4369 ATOM 4365 HW1 SOL 931 12.870 4.450 56.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4370 ATOM 4366 HW2 SOL 931 12.940 5.330 54.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4371 ATOM 4367 OW SOL 932 5.670 4.660 58.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4372 ATOM 4368 HW1 SOL 932 5.590 3.680 58.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4373 ATOM 4369 HW2 SOL 932 4.980 4.930 58.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4374 ATOM 4370 OW SOL 933 16.880 11.160 71.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4375 ATOM 4371 HW1 SOL 933 17.760 11.440 71.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4376 ATOM 4372 HW2 SOL 933 16.170 11.800 71.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4377 ATOM 4373 OW SOL 934 9.320 12.390 68.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4378 ATOM 4374 HW1 SOL 934 8.850 12.130 69.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4379 ATOM 4375 HW2 SOL 934 10.050 11.730 68.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4380 ATOM 4376 OW SOL 935 12.560 13.690 67.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4381 ATOM 4377 HW1 SOL 935 11.650 13.810 67.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4382 ATOM 4378 HW2 SOL 935 12.580 12.840 67.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4383 ATOM 4379 OW SOL 936 15.340 10.240 66.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4384 ATOM 4380 HW1 SOL 936 15.290 10.880 67.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4385 ATOM 4381 HW2 SOL 936 14.440 9.840 66.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4386 ATOM 4382 OW SOL 937 9.190 0.380 67.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4387 ATOM 4383 HW1 SOL 937 10.020 0.380 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4388 ATOM 4384 HW2 SOL 937 9.390 0.760 68.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4389 ATOM 4385 OW SOL 938 5.960 10.370 60.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4390 ATOM 4386 HW1 SOL 938 5.750 10.720 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4391 ATOM 4387 HW2 SOL 938 6.930 10.170 60.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4392 ATOM 4388 OW SOL 939 2.350 8.510 68.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4393 ATOM 4389 HW1 SOL 939 2.920 7.940 69.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4394 ATOM 4390 HW2 SOL 939 2.000 7.960 67.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4395 ATOM 4391 OW SOL 940 14.130 4.110 67.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4396 ATOM 4392 HW1 SOL 940 14.330 4.700 68.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4397 ATOM 4393 HW2 SOL 940 13.990 3.180 68.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4398 ATOM 4394 OW SOL 941 70.220 13.870 70.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4399 ATOM 4395 HW1 SOL 941 70.940 13.560 71.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4400 ATOM 4396 HW2 SOL 941 69.420 14.150 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4401 ATOM 4397 OW SOL 942 3.010 12.860 59.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4402 ATOM 4398 HW1 SOL 942 2.200 13.360 59.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4403 ATOM 4399 HW2 SOL 942 3.810 13.470 59.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4404 ATOM 4400 OW SOL 943 5.380 4.410 63.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4405 ATOM 4401 HW1 SOL 943 5.100 4.570 62.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4406 ATOM 4402 HW2 SOL 943 5.210 5.230 63.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4407 ATOM 4403 OW SOL 944 12.360 15.020 60.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4408 ATOM 4404 HW1 SOL 944 12.520 15.820 60.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4409 ATOM 4405 HW2 SOL 944 12.370 15.290 61.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4410 ATOM 4406 OW SOL 945 14.160 15.580 67.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4411 ATOM 4407 HW1 SOL 945 14.560 15.700 68.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4412 ATOM 4408 HW2 SOL 945 13.750 14.670 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4413 ATOM 4409 OW SOL 946 12.660 8.270 61.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4414 ATOM 4410 HW1 SOL 946 11.780 8.470 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4415 ATOM 4411 HW2 SOL 946 12.740 8.800 60.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4416 ATOM 4412 OW SOL 947 3.780 14.280 68.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4417 ATOM 4413 HW1 SOL 947 2.960 13.930 68.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4418 ATOM 4414 HW2 SOL 947 4.560 14.180 68.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4419 ATOM 4415 OW SOL 948 2.010 6.850 71.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4420 ATOM 4416 HW1 SOL 948 2.610 7.020 70.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4421 ATOM 4417 HW2 SOL 948 2.210 7.510 72.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4422 ATOM 4418 OW SOL 949 17.130 6.250 72.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4423 ATOM 4419 HW1 SOL 949 16.310 6.760 72.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4424 ATOM 4420 HW2 SOL 949 17.590 6.720 71.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4425 ATOM 4421 OW SOL 950 5.680 8.310 66.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4426 ATOM 4422 HW1 SOL 950 5.880 9.140 67.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4427 ATOM 4423 HW2 SOL 950 4.740 8.030 66.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4428 ATOM 4424 OW SOL 951 11.400 9.140 66.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4429 ATOM 4425 HW1 SOL 951 10.720 8.420 66.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4430 ATOM 4426 HW2 SOL 951 12.120 9.040 65.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4431 ATOM 4427 OW SOL 952 10.620 7.360 57.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4432 ATOM 4428 HW1 SOL 952 10.780 6.540 58.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4433 ATOM 4429 HW2 SOL 952 9.640 7.550 57.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4434 ATOM 4430 OW SOL 953 4.690 0.970 67.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4435 ATOM 4431 HW1 SOL 953 4.140 1.660 67.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4436 ATOM 4432 HW2 SOL 953 4.370 0.060 67.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4437 ATOM 4433 OW SOL 954 70.670 15.000 67.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4438 ATOM 4434 HW1 SOL 954 71.620 15.290 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4439 ATOM 4435 HW2 SOL 954 70.560 14.440 68.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4440 ATOM 4436 OW SOL 955 6.360 6.900 64.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4441 ATOM 4437 HW1 SOL 955 7.270 6.470 64.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4442 ATOM 4438 HW2 SOL 955 6.400 7.730 65.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4443 ATOM 4439 OW SOL 956 4.860 71.430 59.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4444 ATOM 4440 HW1 SOL 956 4.020 71.940 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4445 ATOM 4441 HW2 SOL 956 5.400 71.910 59.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4446 ATOM 4442 OW SOL 957 15.840 5.270 57.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4447 ATOM 4443 HW1 SOL 957 14.930 5.610 57.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4448 ATOM 4444 HW2 SOL 957 16.160 5.660 58.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4449 ATOM 4445 OW SOL 958 9.350 7.240 66.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4450 ATOM 4446 HW1 SOL 958 8.970 6.910 67.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4451 ATOM 4447 HW2 SOL 958 9.280 6.510 66.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4452 ATOM 4448 OW SOL 959 16.110 13.620 0.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4453 ATOM 4449 HW1 SOL 959 15.570 13.930 -0.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4454 ATOM 4450 HW2 SOL 959 16.600 14.410 0.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4455 ATOM 4451 OW SOL 960 15.780 1.060 55.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4456 ATOM 4452 HW1 SOL 960 15.150 1.060 56.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4457 ATOM 4453 HW2 SOL 960 16.670 1.430 55.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4458 ATOM 4454 OW SOL 961 11.820 8.780 55.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4459 ATOM 4455 HW1 SOL 961 11.370 8.420 56.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4460 ATOM 4456 HW2 SOL 961 12.100 8.030 55.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4461 ATOM 4457 OW SOL 962 11.050 13.880 63.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4462 ATOM 4458 HW1 SOL 962 11.070 13.100 64.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4463 ATOM 4459 HW2 SOL 962 11.960 14.300 63.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4464 ATOM 4460 OW SOL 963 2.930 10.270 66.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4465 ATOM 4461 HW1 SOL 963 3.900 10.370 66.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4466 ATOM 4462 HW2 SOL 963 2.830 9.870 67.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4467 ATOM 4463 OW SOL 964 3.150 4.040 65.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4468 ATOM 4464 HW1 SOL 964 3.040 3.050 65.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4469 ATOM 4465 HW2 SOL 964 4.090 4.250 65.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4470 ATOM 4466 OW SOL 965 9.020 3.630 69.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4471 ATOM 4467 HW1 SOL 965 9.060 4.600 70.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4472 ATOM 4468 HW2 SOL 965 9.650 3.430 69.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4473 ATOM 4469 OW SOL 966 69.410 13.900 57.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4474 ATOM 4470 HW1 SOL 966 69.930 13.230 58.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4475 ATOM 4471 HW2 SOL 966 68.450 13.610 57.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4476 ATOM 4472 OW SOL 967 72.230 17.640 63.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4477 ATOM 4473 HW1 SOL 967 72.140 16.650 63.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4478 ATOM 4474 HW2 SOL 967 73.200 17.890 63.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4479 ATOM 4475 OW SOL 968 4.120 16.350 64.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4480 ATOM 4476 HW1 SOL 968 4.760 16.970 65.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4481 ATOM 4477 HW2 SOL 968 4.620 15.640 64.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4482 ATOM 4478 OW SOL 969 6.930 6.340 68.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4483 ATOM 4479 HW1 SOL 969 6.590 5.440 67.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4484 ATOM 4480 HW2 SOL 969 6.500 7.040 67.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4485 ATOM 4481 OW SOL 970 0.550 4.640 66.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4486 ATOM 4482 HW1 SOL 970 0.240 5.450 66.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4487 ATOM 4483 HW2 SOL 970 1.530 4.520 66.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4488 ATOM 4484 OW SOL 971 8.160 6.230 59.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4489 ATOM 4485 HW1 SOL 971 8.830 5.590 59.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4490 ATOM 4486 HW2 SOL 971 7.250 6.020 59.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4491 ATOM 4487 OW SOL 972 17.320 5.790 66.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4492 ATOM 4488 HW1 SOL 972 17.270 5.030 66.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4493 ATOM 4489 HW2 SOL 972 18.040 5.610 65.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4494 ATOM 4490 OW SOL 973 4.090 14.730 71.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4495 ATOM 4491 HW1 SOL 973 3.950 14.620 70.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4496 ATOM 4492 HW2 SOL 973 4.050 13.840 71.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4497 ATOM 4493 OW SOL 974 5.760 4.150 66.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4498 ATOM 4494 HW1 SOL 974 6.450 3.430 66.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4499 ATOM 4495 HW2 SOL 974 5.870 4.860 65.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4500 ATOM 4496 OW SOL 975 10.790 16.590 68.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4501 ATOM 4497 HW1 SOL 975 10.720 15.730 68.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4502 ATOM 4498 HW2 SOL 975 11.050 17.330 67.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4503 ATOM 4499 OW SOL 976 4.200 5.240 56.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4504 ATOM 4500 HW1 SOL 976 3.510 4.710 55.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4505 ATOM 4501 HW2 SOL 976 3.750 5.990 56.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4506 ATOM 4502 OW SOL 977 0.290 11.110 71.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4507 ATOM 4503 HW1 SOL 977 0.910 10.870 71.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4508 ATOM 4504 HW2 SOL 977 0.490 10.540 70.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4509 ATOM 4505 OW SOL 978 11.890 10.990 68.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4510 ATOM 4506 HW1 SOL 978 11.570 10.180 68.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4511 ATOM 4507 HW2 SOL 978 12.890 10.940 68.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4512 ATOM 4508 OW SOL 979 12.750 10.010 58.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4513 ATOM 4509 HW1 SOL 979 13.000 10.920 59.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4514 ATOM 4510 HW2 SOL 979 11.780 10.000 58.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4515 ATOM 4511 OW SOL 980 12.330 19.120 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4516 ATOM 4512 HW1 SOL 980 11.880 20.010 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4517 ATOM 4513 HW2 SOL 980 11.710 18.460 69.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4518 ATOM 4514 OW SOL 981 14.130 17.570 65.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4519 ATOM 4515 HW1 SOL 981 15.060 17.410 65.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4520 ATOM 4516 HW2 SOL 981 13.980 17.040 66.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4521 ATOM 4517 OW SOL 982 71.770 12.580 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4522 ATOM 4518 HW1 SOL 982 71.150 12.320 65.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4523 ATOM 4519 HW2 SOL 982 71.390 12.280 63.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4524 ATOM 4520 OW SOL 983 15.760 2.640 58.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4525 ATOM 4521 HW1 SOL 983 16.650 2.300 57.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4526 ATOM 4522 HW2 SOL 983 15.660 3.600 57.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4527 ATOM 4523 OW SOL 984 14.950 17.010 61.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4528 ATOM 4524 HW1 SOL 984 15.440 17.360 60.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4529 ATOM 4525 HW2 SOL 984 14.630 17.770 61.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4530 ATOM 4526 OW SOL 985 11.660 11.300 62.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4531 ATOM 4527 HW1 SOL 985 11.250 12.090 62.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4532 ATOM 4528 HW2 SOL 985 12.240 11.620 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4533 ATOM 4529 OW SOL 986 6.280 10.550 68.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4534 ATOM 4530 HW1 SOL 986 6.260 11.150 69.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4535 ATOM 4531 HW2 SOL 986 6.150 11.100 67.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4536 ATOM 4532 OW SOL 987 5.290 16.120 55.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4537 ATOM 4533 HW1 SOL 987 5.850 16.160 55.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4538 ATOM 4534 HW2 SOL 987 5.410 15.240 56.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4539 ATOM 4535 OW SOL 988 14.420 17.730 70.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4540 ATOM 4536 HW1 SOL 988 13.910 18.380 70.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4541 ATOM 4537 HW2 SOL 988 13.970 17.610 71.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4542 ATOM 4538 OW SOL 989 19.120 72.240 64.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4543 ATOM 4539 HW1 SOL 989 19.130 72.420 63.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4544 ATOM 4540 HW2 SOL 989 18.350 71.630 64.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4545 ATOM 4541 OW SOL 990 2.650 2.490 62.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4546 ATOM 4542 HW1 SOL 990 2.160 2.940 63.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4547 ATOM 4543 HW2 SOL 990 3.320 1.850 62.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4548 ATOM 4544 OW SOL 991 12.800 15.550 54.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4549 ATOM 4545 HW1 SOL 991 13.010 15.110 55.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4550 ATOM 4546 HW2 SOL 991 12.240 14.940 54.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4551 ATOM 4547 OW SOL 992 7.520 8.400 69.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4552 ATOM 4548 HW1 SOL 992 7.490 7.520 69.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4553 ATOM 4549 HW2 SOL 992 6.980 9.080 69.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4554 ATOM 4550 OW SOL 993 10.010 10.480 58.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4555 ATOM 4551 HW1 SOL 993 9.760 10.380 57.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4556 ATOM 4552 HW2 SOL 993 9.350 9.990 59.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4557 ATOM 4553 OW SOL 994 16.200 18.950 54.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4558 ATOM 4554 HW1 SOL 994 16.100 18.270 53.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4559 ATOM 4555 HW2 SOL 994 16.640 18.530 55.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4560 ATOM 4556 OW SOL 995 4.130 12.330 0.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4561 ATOM 4557 HW1 SOL 995 4.850 11.980 0.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4562 ATOM 4558 HW2 SOL 995 3.230 12.080 0.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4563 ATOM 4559 OW SOL 996 15.000 11.500 68.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4564 ATOM 4560 HW1 SOL 996 15.960 11.250 68.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4565 ATOM 4561 HW2 SOL 996 14.740 12.070 69.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4566 ATOM 4562 OW SOL 997 10.650 11.630 65.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4567 ATOM 4563 HW1 SOL 997 9.650 11.610 65.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4568 ATOM 4564 HW2 SOL 997 11.000 10.730 65.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4569 ATOM 4565 OW SOL 998 10.320 2.990 64.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4570 ATOM 4566 HW1 SOL 998 10.800 3.110 63.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4571 ATOM 4567 HW2 SOL 998 10.480 2.070 64.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4572 ATOM 4568 OW SOL 999 7.260 15.190 61.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4573 ATOM 4569 HW1 SOL 999 8.110 15.130 61.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4574 ATOM 4570 HW2 SOL 999 6.480 15.260 61.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4575 ATOM 4571 OW SOL 1000 17.420 3.930 68.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4576 ATOM 4572 HW1 SOL 1000 18.270 3.840 68.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4577 ATOM 4573 HW2 SOL 1000 17.200 3.050 67.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4578 ATOM 4574 OW SOL 1001 0.810 14.360 59.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4579 ATOM 4575 HW1 SOL 1001 0.020 14.560 58.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4580 ATOM 4576 HW2 SOL 1001 0.630 14.670 60.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4581 ATOM 4577 OW SOL 1002 1.940 11.080 0.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4582 ATOM 4578 HW1 SOL 1002 1.820 11.500 1.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4583 ATOM 4579 HW2 SOL 1002 2.360 10.180 1.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4584 ATOM 4580 OW SOL 1003 6.920 1.510 69.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4585 ATOM 4581 HW1 SOL 1003 6.440 1.190 68.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4586 ATOM 4582 HW2 SOL 1003 7.430 2.340 69.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4587 ATOM 4583 OW SOL 1004 1.390 2.560 56.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4588 ATOM 4584 HW1 SOL 1004 1.080 1.630 56.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4589 ATOM 4585 HW2 SOL 1004 1.690 2.600 57.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4590 ATOM 4586 OW SOL 1005 13.400 7.190 68.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4591 ATOM 4587 HW1 SOL 1005 14.210 6.770 68.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4592 ATOM 4588 HW2 SOL 1005 13.560 7.350 67.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4593 ATOM 4589 OW SOL 1006 2.380 2.730 59.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4594 ATOM 4590 HW1 SOL 1006 2.390 2.460 60.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4595 ATOM 4591 HW2 SOL 1006 3.180 2.340 59.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4596 ATOM 4592 OW SOL 1007 12.950 14.040 57.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4597 ATOM 4593 HW1 SOL 1007 12.050 13.600 57.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4598 ATOM 4594 HW2 SOL 1007 13.120 14.460 57.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4599 ATOM 4595 OW SOL 1008 4.310 7.170 69.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4600 ATOM 4596 HW1 SOL 1008 5.000 7.220 70.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4601 ATOM 4597 HW2 SOL 1008 4.410 6.310 69.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4602 ATOM 4598 OW SOL 1009 16.640 18.380 64.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4603 ATOM 4599 HW1 SOL 1009 16.390 19.340 64.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4604 ATOM 4600 HW2 SOL 1009 17.580 18.240 64.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4605 ATOM 4601 OW SOL 1010 6.360 6.060 72.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4606 ATOM 4602 HW1 SOL 1010 7.170 6.260 71.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4607 ATOM 4603 HW2 SOL 1010 6.230 5.070 72.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4608 ATOM 4604 OW SOL 1011 2.890 18.440 71.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4609 ATOM 4605 HW1 SOL 1011 3.370 19.300 71.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4610 ATOM 4606 HW2 SOL 1011 2.930 17.850 71.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4611 ATOM 4607 OW SOL 1012 17.270 8.280 67.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4612 ATOM 4608 HW1 SOL 1012 17.290 7.470 66.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4613 ATOM 4609 HW2 SOL 1012 16.440 8.810 67.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4614 ATOM 4610 OW SOL 1013 13.420 6.440 57.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4615 ATOM 4611 HW1 SOL 1013 12.840 5.930 58.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4616 ATOM 4612 HW2 SOL 1013 12.910 7.230 57.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4617 ATOM 4613 OW SOL 1014 3.700 8.090 64.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4618 ATOM 4614 HW1 SOL 1014 4.600 8.480 63.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4619 ATOM 4615 HW2 SOL 1014 3.000 8.700 63.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4620 ATOM 4616 OW SOL 1015 17.090 8.270 70.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4621 ATOM 4617 HW1 SOL 1015 16.420 8.970 70.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4622 ATOM 4618 HW2 SOL 1015 17.170 8.210 69.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4623 ATOM 4619 OW SOL 1016 8.410 14.340 55.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4624 ATOM 4620 HW1 SOL 1016 9.300 13.990 56.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4625 ATOM 4621 HW2 SOL 1016 8.510 14.820 55.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4626 ATOM 4622 OW SOL 1017 7.000 16.960 65.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4627 ATOM 4623 HW1 SOL 1017 7.280 17.640 66.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4628 ATOM 4624 HW2 SOL 1017 7.570 17.040 65.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4629 ATOM 4625 OW SOL 1018 8.520 8.770 64.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4630 ATOM 4626 HW1 SOL 1018 8.860 8.390 65.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4631 ATOM 4627 HW2 SOL 1018 8.270 9.730 64.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4632 ATOM 4628 OW SOL 1019 10.190 11.080 56.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4633 ATOM 4629 HW1 SOL 1019 9.740 11.570 55.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4634 ATOM 4630 HW2 SOL 1019 11.090 10.760 55.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4635 ATOM 4631 OW SOL 1020 18.910 15.910 63.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4636 ATOM 4632 HW1 SOL 1020 18.090 15.720 63.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4637 ATOM 4633 HW2 SOL 1020 18.870 16.850 64.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4638 ATOM 4634 OW SOL 1021 71.540 12.170 57.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4639 ATOM 4635 HW1 SOL 1021 71.030 12.640 56.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4640 ATOM 4636 HW2 SOL 1021 72.020 11.380 56.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4641 ATOM 4637 OW SOL 1022 6.100 12.470 70.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4642 ATOM 4638 HW1 SOL 1022 5.240 12.340 71.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4643 ATOM 4639 HW2 SOL 1022 6.140 13.410 70.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4644 ATOM 4640 OW SOL 1023 16.740 1.440 67.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4645 ATOM 4641 HW1 SOL 1023 17.320 0.790 67.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4646 ATOM 4642 HW2 SOL 1023 17.040 1.490 66.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4647 ATOM 4643 OW SOL 1024 4.290 4.820 60.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4648 ATOM 4644 HW1 SOL 1024 4.810 5.050 60.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4649 ATOM 4645 HW2 SOL 1024 3.450 4.350 60.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4650 ATOM 4646 OW SOL 1025 16.650 15.690 66.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4651 ATOM 4647 HW1 SOL 1025 16.860 15.040 65.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4652 ATOM 4648 HW2 SOL 1025 15.720 15.500 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4653 ATOM 4649 OW SOL 1026 2.700 6.710 66.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4654 ATOM 4650 HW1 SOL 1026 2.970 7.280 65.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4655 ATOM 4651 HW2 SOL 1026 2.840 5.740 66.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4656 ATOM 4652 OW SOL 1027 8.420 17.810 62.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4657 ATOM 4653 HW1 SOL 1027 8.750 17.650 61.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4658 ATOM 4654 HW2 SOL 1027 7.510 17.420 62.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4659 ATOM 4655 OW SOL 1028 13.350 3.130 65.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4660 ATOM 4656 HW1 SOL 1028 13.760 2.230 64.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4661 ATOM 4657 HW2 SOL 1028 13.740 3.550 65.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4662 ATOM 4658 OW SOL 1029 11.140 0.580 65.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4663 ATOM 4659 HW1 SOL 1029 11.080 -0.190 64.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4664 ATOM 4660 HW2 SOL 1029 12.030 1.020 65.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4665 ATOM 4661 OW SOL 1030 10.270 13.340 57.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4666 ATOM 4662 HW1 SOL 1030 10.500 12.370 57.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4667 ATOM 4663 HW2 SOL 1030 9.610 13.440 58.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4668 ATOM 4664 OW SOL 1031 6.040 14.780 67.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4669 ATOM 4665 HW1 SOL 1031 6.600 14.790 68.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4670 ATOM 4666 HW2 SOL 1031 6.320 15.520 66.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4671 ATOM 4667 OW SOL 1032 11.980 0.310 54.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4672 ATOM 4668 HW1 SOL 1032 11.200 -0.310 54.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4673 ATOM 4669 HW2 SOL 1032 11.920 0.990 53.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4674 ATOM 4670 OW SOL 1033 10.790 5.910 62.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4675 ATOM 4671 HW1 SOL 1033 10.660 6.880 62.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4676 ATOM 4672 HW2 SOL 1033 9.920 5.500 62.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4677 ATOM 4673 OW SOL 1034 17.180 2.720 64.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4678 ATOM 4674 HW1 SOL 1034 16.420 2.850 63.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4679 ATOM 4675 HW2 SOL 1034 17.940 3.330 64.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4680 ATOM 4676 OW SOL 1035 0.470 8.580 58.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4681 ATOM 4677 HW1 SOL 1035 1.100 9.100 59.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4682 ATOM 4678 HW2 SOL 1035 -0.010 7.900 59.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4683 ATOM 4679 OW SOL 1036 9.410 16.330 58.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4684 ATOM 4680 HW1 SOL 1036 9.200 15.840 57.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4685 ATOM 4681 HW2 SOL 1036 8.570 16.680 58.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4686 ATOM 4682 OW SOL 1037 1.070 23.830 1.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4687 ATOM 4683 HW1 SOL 1037 0.200 23.350 1.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4688 ATOM 4684 HW2 SOL 1037 1.160 24.220 0.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4689 ATOM 4685 OW SOL 1038 2.960 20.330 9.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4690 ATOM 4686 HW1 SOL 1038 3.740 20.060 10.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4691 ATOM 4687 HW2 SOL 1038 3.000 19.870 8.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4692 ATOM 4688 OW SOL 1039 0.480 21.530 7.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4693 ATOM 4689 HW1 SOL 1039 -0.280 22.110 6.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4694 ATOM 4690 HW2 SOL 1039 0.160 20.910 7.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4695 ATOM 4691 OW SOL 1040 7.120 30.560 10.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4696 ATOM 4692 HW1 SOL 1040 6.320 30.550 11.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4697 ATOM 4693 HW2 SOL 1040 7.540 31.460 10.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4698 ATOM 4694 OW SOL 1041 14.870 32.160 5.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4699 ATOM 4695 HW1 SOL 1041 14.730 31.990 6.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4700 ATOM 4696 HW2 SOL 1041 14.100 32.690 5.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4701 ATOM 4697 OW SOL 1042 12.010 23.660 3.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4702 ATOM 4698 HW1 SOL 1042 11.420 23.730 3.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4703 ATOM 4699 HW2 SOL 1042 11.700 22.910 4.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4704 ATOM 4700 OW SOL 1043 16.110 24.230 1.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4705 ATOM 4701 HW1 SOL 1043 15.750 24.890 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4706 ATOM 4702 HW2 SOL 1043 15.350 23.780 2.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4707 ATOM 4703 OW SOL 1044 7.660 28.920 8.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4708 ATOM 4704 HW1 SOL 1044 7.480 29.650 9.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4709 ATOM 4705 HW2 SOL 1044 8.040 29.300 7.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4710 ATOM 4706 OW SOL 1045 9.180 25.090 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4711 ATOM 4707 HW1 SOL 1045 8.890 24.170 16.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4712 ATOM 4708 HW2 SOL 1045 8.930 25.720 16.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4713 ATOM 4709 OW SOL 1046 5.470 29.810 6.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4714 ATOM 4710 HW1 SOL 1046 6.410 29.880 6.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4715 ATOM 4711 HW2 SOL 1046 4.860 29.640 6.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4716 ATOM 4712 OW SOL 1047 7.690 27.000 18.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4717 ATOM 4713 HW1 SOL 1047 8.230 26.170 18.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4718 ATOM 4714 HW2 SOL 1047 7.370 27.380 17.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4719 ATOM 4715 OW SOL 1048 4.230 30.360 10.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4720 ATOM 4716 HW1 SOL 1048 3.350 30.600 11.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4721 ATOM 4717 HW2 SOL 1048 4.470 31.030 9.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4722 ATOM 4718 OW SOL 1049 14.430 34.630 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4723 ATOM 4719 HW1 SOL 1049 15.370 34.320 11.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4724 ATOM 4720 HW2 SOL 1049 14.120 35.120 12.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4725 ATOM 4721 OW SOL 1050 5.480 23.160 11.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4726 ATOM 4722 HW1 SOL 1050 5.680 22.190 11.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4727 ATOM 4723 HW2 SOL 1050 6.170 23.610 10.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4728 ATOM 4724 OW SOL 1051 16.700 19.970 6.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4729 ATOM 4725 HW1 SOL 1051 17.250 19.230 5.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4730 ATOM 4726 HW2 SOL 1051 16.440 20.620 5.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4731 ATOM 4727 OW SOL 1052 2.670 40.600 4.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4732 ATOM 4728 HW1 SOL 1052 3.040 40.460 5.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4733 ATOM 4729 HW2 SOL 1052 3.030 39.900 3.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4734 ATOM 4730 OW SOL 1053 10.500 30.720 15.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4735 ATOM 4731 HW1 SOL 1053 10.850 30.750 14.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4736 ATOM 4732 HW2 SOL 1053 10.740 29.850 16.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4737 ATOM 4733 OW SOL 1054 72.360 32.790 5.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4738 ATOM 4734 HW1 SOL 1054 71.480 33.190 4.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4739 ATOM 4735 HW2 SOL 1054 72.530 32.960 6.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4740 ATOM 4736 OW SOL 1055 4.770 28.400 8.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4741 ATOM 4737 HW1 SOL 1055 5.750 28.210 8.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4742 ATOM 4738 HW2 SOL 1055 4.640 29.040 9.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4743 ATOM 4739 OW SOL 1056 6.780 36.790 13.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4744 ATOM 4740 HW1 SOL 1056 6.470 35.870 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4745 ATOM 4741 HW2 SOL 1056 7.740 36.900 13.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4746 ATOM 4742 OW SOL 1057 6.360 29.360 1.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4747 ATOM 4743 HW1 SOL 1057 6.710 28.430 1.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4748 ATOM 4744 HW2 SOL 1057 5.770 29.520 2.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4749 ATOM 4745 OW SOL 1058 16.190 19.580 14.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4750 ATOM 4746 HW1 SOL 1058 15.760 20.270 13.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4751 ATOM 4747 HW2 SOL 1058 15.770 19.580 15.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4752 ATOM 4748 OW SOL 1059 1.680 23.560 6.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4753 ATOM 4749 HW1 SOL 1059 1.240 22.730 6.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4754 ATOM 4750 HW2 SOL 1059 2.400 23.850 6.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4755 ATOM 4751 OW SOL 1060 19.610 34.450 3.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4756 ATOM 4752 HW1 SOL 1060 19.420 33.710 3.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4757 ATOM 4753 HW2 SOL 1060 20.230 35.120 3.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4758 ATOM 4754 OW SOL 1061 70.420 34.400 3.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4759 ATOM 4755 HW1 SOL 1061 70.760 33.750 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4760 ATOM 4756 HW2 SOL 1061 69.600 34.840 3.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4761 ATOM 4757 OW SOL 1062 17.180 26.380 5.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4762 ATOM 4758 HW1 SOL 1062 17.510 25.670 5.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4763 ATOM 4759 HW2 SOL 1062 17.100 27.250 5.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4764 ATOM 4760 OW SOL 1063 16.450 28.400 3.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4765 ATOM 4761 HW1 SOL 1063 16.410 28.090 2.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4766 ATOM 4762 HW2 SOL 1063 16.880 29.300 3.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4767 ATOM 4763 OW SOL 1064 1.840 24.330 14.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4768 ATOM 4764 HW1 SOL 1064 2.050 24.690 13.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4769 ATOM 4765 HW2 SOL 1064 2.670 24.300 14.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4770 ATOM 4766 OW SOL 1065 3.400 31.970 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4771 ATOM 4767 HW1 SOL 1065 2.890 31.140 7.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4772 ATOM 4768 HW2 SOL 1065 3.040 32.360 6.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4773 ATOM 4769 OW SOL 1066 12.460 30.990 13.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4774 ATOM 4770 HW1 SOL 1066 12.910 31.260 12.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4775 ATOM 4771 HW2 SOL 1066 13.120 31.070 14.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4776 ATOM 4772 OW SOL 1067 10.070 18.480 3.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4777 ATOM 4773 HW1 SOL 1067 10.270 17.530 3.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4778 ATOM 4774 HW2 SOL 1067 9.080 18.620 3.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4779 ATOM 4775 OW SOL 1068 14.280 27.030 1.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4780 ATOM 4776 HW1 SOL 1068 14.370 26.390 2.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4781 ATOM 4777 HW2 SOL 1068 15.110 27.570 1.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4782 ATOM 4778 OW SOL 1069 12.970 36.800 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4783 ATOM 4779 HW1 SOL 1069 12.150 37.350 15.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4784 ATOM 4780 HW2 SOL 1069 12.850 35.910 15.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4785 ATOM 4781 OW SOL 1070 3.810 21.350 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4786 ATOM 4782 HW1 SOL 1070 4.570 21.970 18.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4787 ATOM 4783 HW2 SOL 1070 2.970 21.750 18.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4788 ATOM 4784 OW SOL 1071 14.420 31.060 8.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4789 ATOM 4785 HW1 SOL 1071 13.480 31.240 8.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4790 ATOM 4786 HW2 SOL 1071 14.630 30.090 8.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4791 ATOM 4787 OW SOL 1072 16.900 36.650 5.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4792 ATOM 4788 HW1 SOL 1072 16.530 36.490 4.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4793 ATOM 4789 HW2 SOL 1072 16.740 35.850 5.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4794 ATOM 4790 OW SOL 1073 6.110 25.420 3.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4795 ATOM 4791 HW1 SOL 1073 6.370 26.340 3.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4796 ATOM 4792 HW2 SOL 1073 5.310 25.110 3.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4797 ATOM 4793 OW SOL 1074 13.230 21.330 9.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4798 ATOM 4794 HW1 SOL 1074 13.010 20.860 8.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4799 ATOM 4795 HW2 SOL 1074 12.900 20.790 10.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4800 ATOM 4796 OW SOL 1075 16.070 35.890 2.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4801 ATOM 4797 HW1 SOL 1075 15.110 35.620 2.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4802 ATOM 4798 HW2 SOL 1075 16.590 35.130 2.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4803 ATOM 4799 OW SOL 1076 6.420 26.960 12.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4804 ATOM 4800 HW1 SOL 1076 6.260 26.190 12.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4805 ATOM 4801 HW2 SOL 1076 6.390 27.810 12.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4806 ATOM 4802 OW SOL 1077 16.160 23.470 14.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4807 ATOM 4803 HW1 SOL 1077 15.720 23.620 15.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4808 ATOM 4804 HW2 SOL 1077 16.920 22.830 14.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4809 ATOM 4805 OW SOL 1078 8.670 26.220 14.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4810 ATOM 4806 HW1 SOL 1078 8.880 25.390 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4811 ATOM 4807 HW2 SOL 1078 9.360 26.920 14.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4812 ATOM 4808 OW SOL 1079 11.970 20.090 11.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4813 ATOM 4809 HW1 SOL 1079 11.330 20.820 11.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4814 ATOM 4810 HW2 SOL 1079 11.460 19.250 11.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4815 ATOM 4811 OW SOL 1080 10.960 22.210 1.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4816 ATOM 4812 HW1 SOL 1080 10.110 22.740 1.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4817 ATOM 4813 HW2 SOL 1080 11.220 21.860 0.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4818 ATOM 4814 OW SOL 1081 72.530 26.420 6.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4819 ATOM 4815 HW1 SOL 1081 73.480 26.720 7.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4820 ATOM 4816 HW2 SOL 1081 72.060 26.430 7.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4821 ATOM 4817 OW SOL 1082 1.470 37.560 17.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4822 ATOM 4818 HW1 SOL 1082 1.390 37.270 18.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4823 ATOM 4819 HW2 SOL 1082 0.940 36.950 16.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4824 ATOM 4820 OW SOL 1083 7.040 20.800 72.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4825 ATOM 4821 HW1 SOL 1083 7.650 21.300 71.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4826 ATOM 4822 HW2 SOL 1083 7.580 20.330 72.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4827 ATOM 4823 OW SOL 1084 18.340 22.950 17.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4828 ATOM 4824 HW1 SOL 1084 18.150 22.320 16.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4829 ATOM 4825 HW2 SOL 1084 18.440 23.880 17.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4830 ATOM 4826 OW SOL 1085 13.960 28.300 5.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4831 ATOM 4827 HW1 SOL 1085 14.740 28.420 4.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4832 ATOM 4828 HW2 SOL 1085 13.410 29.130 5.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4833 ATOM 4829 OW SOL 1086 6.580 18.800 9.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4834 ATOM 4830 HW1 SOL 1086 5.840 18.830 10.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4835 ATOM 4831 HW2 SOL 1086 6.970 19.710 9.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4836 ATOM 4832 OW SOL 1087 9.320 32.620 5.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4837 ATOM 4833 HW1 SOL 1087 8.780 32.380 4.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4838 ATOM 4834 HW2 SOL 1087 9.750 33.510 5.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4839 ATOM 4835 OW SOL 1088 3.560 35.190 9.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4840 ATOM 4836 HW1 SOL 1088 4.040 34.320 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4841 ATOM 4837 HW2 SOL 1088 3.990 35.740 10.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4842 ATOM 4838 OW SOL 1089 18.190 26.840 7.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4843 ATOM 4839 HW1 SOL 1089 17.930 26.640 7.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4844 ATOM 4840 HW2 SOL 1089 17.660 27.620 8.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4845 ATOM 4841 OW SOL 1090 13.180 34.330 14.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4846 ATOM 4842 HW1 SOL 1090 13.940 34.060 15.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4847 ATOM 4843 HW2 SOL 1090 12.900 33.550 13.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4848 ATOM 4844 OW SOL 1091 5.110 30.360 71.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4849 ATOM 4845 HW1 SOL 1091 5.590 30.280 72.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4850 ATOM 4846 HW2 SOL 1091 5.590 29.820 70.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4851 ATOM 4847 OW SOL 1092 15.620 24.380 6.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4852 ATOM 4848 HW1 SOL 1092 15.010 24.440 7.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4853 ATOM 4849 HW2 SOL 1092 15.900 25.290 6.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4854 ATOM 4850 OW SOL 1093 6.510 27.320 16.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4855 ATOM 4851 HW1 SOL 1093 6.750 26.750 15.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4856 ATOM 4852 HW2 SOL 1093 5.520 27.430 16.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4857 ATOM 4853 OW SOL 1094 10.550 37.430 0.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4858 ATOM 4854 HW1 SOL 1094 9.970 36.940 0.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4859 ATOM 4855 HW2 SOL 1094 10.360 37.100 -0.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4860 ATOM 4856 OW SOL 1095 2.510 18.970 13.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4861 ATOM 4857 HW1 SOL 1095 2.230 19.910 13.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4862 ATOM 4858 HW2 SOL 1095 1.720 18.360 13.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4863 ATOM 4859 OW SOL 1096 14.840 30.360 0.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4864 ATOM 4860 HW1 SOL 1096 15.270 30.770 -0.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4865 ATOM 4861 HW2 SOL 1096 14.170 29.680 -0.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4866 ATOM 4862 OW SOL 1097 6.180 37.310 2.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4867 ATOM 4863 HW1 SOL 1097 5.990 37.790 2.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4868 ATOM 4864 HW2 SOL 1097 6.230 36.320 2.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4869 ATOM 4865 OW SOL 1098 14.370 18.460 3.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4870 ATOM 4866 HW1 SOL 1098 13.880 19.310 3.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4871 ATOM 4867 HW2 SOL 1098 15.130 18.650 2.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4872 ATOM 4868 OW SOL 1099 2.800 35.620 12.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4873 ATOM 4869 HW1 SOL 1099 2.200 34.880 12.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4874 ATOM 4870 HW2 SOL 1099 3.050 35.470 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4875 ATOM 4871 OW SOL 1100 10.810 33.400 8.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4876 ATOM 4872 HW1 SOL 1100 10.920 34.390 8.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4877 ATOM 4873 HW2 SOL 1100 10.080 33.090 7.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4878 ATOM 4874 OW SOL 1101 3.790 24.800 4.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4879 ATOM 4875 HW1 SOL 1101 3.770 23.820 4.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4880 ATOM 4876 HW2 SOL 1101 2.860 25.170 4.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4881 ATOM 4877 OW SOL 1102 14.520 19.670 16.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4882 ATOM 4878 HW1 SOL 1102 14.460 20.510 17.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4883 ATOM 4879 HW2 SOL 1102 15.010 18.970 17.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4884 ATOM 4880 OW SOL 1103 8.670 16.720 70.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4885 ATOM 4881 HW1 SOL 1103 8.990 17.010 71.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4886 ATOM 4882 HW2 SOL 1103 9.430 16.720 69.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4887 ATOM 4883 OW SOL 1104 10.460 21.120 16.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4888 ATOM 4884 HW1 SOL 1104 11.150 21.340 15.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4889 ATOM 4885 HW2 SOL 1104 10.890 20.610 16.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4890 ATOM 4886 OW SOL 1105 8.940 33.190 10.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4891 ATOM 4887 HW1 SOL 1105 9.790 33.030 10.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4892 ATOM 4888 HW2 SOL 1105 9.100 33.040 11.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4893 ATOM 4889 OW SOL 1106 14.110 23.630 13.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4894 ATOM 4890 HW1 SOL 1106 14.870 23.430 13.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4895 ATOM 4891 HW2 SOL 1106 14.150 24.590 12.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4896 ATOM 4892 OW SOL 1107 8.150 30.160 6.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4897 ATOM 4893 HW1 SOL 1107 8.680 29.700 5.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4898 ATOM 4894 HW2 SOL 1107 8.430 31.110 6.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4899 ATOM 4895 OW SOL 1108 8.250 21.370 8.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4900 ATOM 4896 HW1 SOL 1108 8.640 22.290 8.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4901 ATOM 4897 HW2 SOL 1108 8.970 20.710 9.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4902 ATOM 4898 OW SOL 1109 7.340 18.390 3.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4903 ATOM 4899 HW1 SOL 1109 6.470 18.620 3.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4904 ATOM 4900 HW2 SOL 1109 7.480 18.940 2.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4905 ATOM 4901 OW SOL 1110 12.980 28.370 72.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4906 ATOM 4902 HW1 SOL 1110 13.300 27.910 73.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4907 ATOM 4903 HW2 SOL 1110 12.010 28.590 72.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4908 ATOM 4904 OW SOL 1111 3.510 19.190 1.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4909 ATOM 4905 HW1 SOL 1111 2.600 19.610 1.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4910 ATOM 4906 HW2 SOL 1111 3.430 18.210 1.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4911 ATOM 4907 OW SOL 1112 8.430 22.890 3.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4912 ATOM 4908 HW1 SOL 1112 7.510 23.010 4.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4913 ATOM 4909 HW2 SOL 1112 8.970 22.320 4.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4914 ATOM 4910 OW SOL 1113 9.550 23.860 13.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4915 ATOM 4911 HW1 SOL 1113 9.300 23.060 12.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4916 ATOM 4912 HW2 SOL 1113 10.310 23.630 14.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4917 ATOM 4913 OW SOL 1114 11.800 36.840 5.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4918 ATOM 4914 HW1 SOL 1114 12.050 37.750 5.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4919 ATOM 4915 HW2 SOL 1114 12.520 36.480 6.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4920 ATOM 4916 OW SOL 1115 1.890 29.690 6.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4921 ATOM 4917 HW1 SOL 1115 2.200 28.940 7.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4922 ATOM 4918 HW2 SOL 1115 1.770 29.370 6.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4923 ATOM 4919 OW SOL 1116 10.550 34.760 4.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4924 ATOM 4920 HW1 SOL 1116 11.100 35.500 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4925 ATOM 4921 HW2 SOL 1116 10.140 35.070 3.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4926 ATOM 4922 OW SOL 1117 6.820 23.340 70.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4927 ATOM 4923 HW1 SOL 1117 6.500 23.260 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4928 ATOM 4924 HW2 SOL 1117 6.190 23.920 71.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4929 ATOM 4925 OW SOL 1118 1.360 21.340 13.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4930 ATOM 4926 HW1 SOL 1118 1.520 21.510 12.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4931 ATOM 4927 HW2 SOL 1118 1.690 22.120 13.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4932 ATOM 4928 OW SOL 1119 6.140 20.570 11.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4933 ATOM 4929 HW1 SOL 1119 6.690 20.790 12.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4934 ATOM 4930 HW2 SOL 1119 5.600 19.740 12.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4935 ATOM 4931 OW SOL 1120 6.660 23.130 6.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4936 ATOM 4932 HW1 SOL 1120 6.380 23.360 7.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4937 ATOM 4933 HW2 SOL 1120 5.860 22.840 5.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4938 ATOM 4934 OW SOL 1121 10.580 18.400 5.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4939 ATOM 4935 HW1 SOL 1121 10.500 18.460 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4940 ATOM 4936 HW2 SOL 1121 9.890 17.770 6.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4941 ATOM 4937 OW SOL 1122 14.840 28.310 7.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4942 ATOM 4938 HW1 SOL 1122 14.330 27.670 8.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4943 ATOM 4939 HW2 SOL 1122 14.450 28.320 6.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4944 ATOM 4940 OW SOL 1123 14.230 23.830 9.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4945 ATOM 4941 HW1 SOL 1123 14.030 22.870 9.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4946 ATOM 4942 HW2 SOL 1123 14.970 24.160 10.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4947 ATOM 4943 OW SOL 1124 17.560 24.160 4.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4948 ATOM 4944 HW1 SOL 1124 18.190 23.400 4.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4949 ATOM 4945 HW2 SOL 1124 16.830 24.110 3.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4950 ATOM 4946 OW SOL 1125 4.100 33.930 2.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4951 ATOM 4947 HW1 SOL 1125 4.990 34.280 2.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4952 ATOM 4948 HW2 SOL 1125 4.250 33.220 1.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4953 ATOM 4949 OW SOL 1126 16.890 31.040 4.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4954 ATOM 4950 HW1 SOL 1126 17.630 31.670 4.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4955 ATOM 4951 HW2 SOL 1126 16.060 31.330 4.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4956 ATOM 4952 OW SOL 1127 10.640 25.250 0.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4957 ATOM 4953 HW1 SOL 1127 9.950 25.770 -0.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4958 ATOM 4954 HW2 SOL 1127 10.200 24.520 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4959 ATOM 4955 OW SOL 1128 5.550 20.590 2.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4960 ATOM 4956 HW1 SOL 1128 4.770 20.000 1.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4961 ATOM 4957 HW2 SOL 1128 6.050 20.820 1.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4962 ATOM 4958 OW SOL 1129 16.790 30.620 14.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4963 ATOM 4959 HW1 SOL 1129 17.030 29.680 14.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4964 ATOM 4960 HW2 SOL 1129 17.550 31.230 14.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4965 ATOM 4961 OW SOL 1130 9.680 32.050 13.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4966 ATOM 4962 HW1 SOL 1130 9.480 31.080 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4967 ATOM 4963 HW2 SOL 1130 10.660 32.160 13.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4968 ATOM 4964 OW SOL 1131 16.070 33.650 15.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4969 ATOM 4965 HW1 SOL 1131 16.600 34.430 16.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4970 ATOM 4966 HW2 SOL 1131 16.670 32.860 15.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4971 ATOM 4967 OW SOL 1132 12.230 29.970 9.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4972 ATOM 4968 HW1 SOL 1132 12.320 29.030 10.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4973 ATOM 4969 HW2 SOL 1132 12.060 29.980 8.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4974 ATOM 4970 OW SOL 1133 16.910 29.070 8.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4975 ATOM 4971 HW1 SOL 1133 16.600 29.590 9.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4976 ATOM 4972 HW2 SOL 1133 16.140 28.930 8.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4977 ATOM 4973 OW SOL 1134 9.000 19.130 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4978 ATOM 4974 HW1 SOL 1134 9.240 18.540 11.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4979 ATOM 4975 HW2 SOL 1134 8.800 18.580 13.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4980 ATOM 4976 OW SOL 1135 11.100 28.280 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4981 ATOM 4977 HW1 SOL 1135 10.460 28.000 15.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4982 ATOM 4978 HW2 SOL 1135 12.030 28.010 16.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4983 ATOM 4979 OW SOL 1136 4.660 30.000 3.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4984 ATOM 4980 HW1 SOL 1136 3.710 30.170 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4985 ATOM 4981 HW2 SOL 1136 4.800 30.080 4.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4986 ATOM 4982 OW SOL 1137 1.250 27.180 10.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4987 ATOM 4983 HW1 SOL 1137 2.210 27.190 11.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4988 ATOM 4984 HW2 SOL 1137 0.750 27.880 11.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4989 ATOM 4985 OW SOL 1138 14.440 20.970 13.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4990 ATOM 4986 HW1 SOL 1138 14.130 21.910 12.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4991 ATOM 4987 HW2 SOL 1138 14.220 20.440 12.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4992 ATOM 4988 OW SOL 1139 1.040 33.870 15.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4993 ATOM 4989 HW1 SOL 1139 1.880 33.600 15.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4994 ATOM 4990 HW2 SOL 1139 0.790 34.800 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4995 ATOM 4991 OW SOL 1140 1.390 28.290 4.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4996 ATOM 4992 HW1 SOL 1140 0.400 28.240 4.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4997 ATOM 4993 HW2 SOL 1140 1.780 27.410 4.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4998 ATOM 4994 OW SOL 1141 3.530 24.110 8.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
4999 ATOM 4995 HW1 SOL 1141 3.060 23.510 8.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5000 ATOM 4996 HW2 SOL 1141 4.420 24.370 8.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5001 ATOM 4997 OW SOL 1142 12.260 30.500 4.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5002 ATOM 4998 HW1 SOL 1142 12.300 31.450 4.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5003 ATOM 4999 HW2 SOL 1142 11.420 30.070 4.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5004 ATOM 5000 OW SOL 1143 13.460 31.750 11.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5005 ATOM 5001 HW1 SOL 1143 13.720 32.560 10.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5006 ATOM 5002 HW2 SOL 1143 12.980 31.100 10.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5007 ATOM 5003 OW SOL 1144 14.690 22.270 5.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5008 ATOM 5004 HW1 SOL 1144 15.250 23.070 5.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5009 ATOM 5005 HW2 SOL 1144 13.740 22.460 5.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5010 ATOM 5006 OW SOL 1145 4.260 32.210 14.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5011 ATOM 5007 HW1 SOL 1145 3.960 31.320 13.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5012 ATOM 5008 HW2 SOL 1145 4.890 32.630 13.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5013 ATOM 5009 OW SOL 1146 3.240 24.450 11.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5014 ATOM 5010 HW1 SOL 1146 3.350 25.420 11.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5015 ATOM 5011 HW2 SOL 1146 4.110 23.980 11.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5016 ATOM 5012 OW SOL 1147 18.230 25.310 16.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5017 ATOM 5013 HW1 SOL 1147 17.490 25.860 16.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5018 ATOM 5014 HW2 SOL 1147 18.640 25.820 15.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5019 ATOM 5015 OW SOL 1148 10.140 19.250 18.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5020 ATOM 5016 HW1 SOL 1148 10.680 19.010 19.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5021 ATOM 5017 HW2 SOL 1148 9.850 18.410 17.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5022 ATOM 5018 OW SOL 1149 5.360 19.000 18.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5023 ATOM 5019 HW1 SOL 1149 4.870 18.550 17.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5024 ATOM 5020 HW2 SOL 1149 4.710 19.490 18.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5025 ATOM 5021 OW SOL 1150 7.860 26.640 10.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5026 ATOM 5022 HW1 SOL 1150 7.650 27.360 9.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5027 ATOM 5023 HW2 SOL 1150 7.490 26.900 11.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5028 ATOM 5024 OW SOL 1151 13.300 26.230 8.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5029 ATOM 5025 HW1 SOL 1151 13.040 26.110 7.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5030 ATOM 5026 HW2 SOL 1151 13.370 25.330 9.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5031 ATOM 5027 OW SOL 1152 12.150 20.340 3.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5032 ATOM 5028 HW1 SOL 1152 11.500 19.580 3.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5033 ATOM 5029 HW2 SOL 1152 11.740 21.130 2.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5034 ATOM 5030 OW SOL 1153 4.160 18.330 11.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5035 ATOM 5031 HW1 SOL 1153 3.640 18.460 12.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5036 ATOM 5032 HW2 SOL 1153 4.020 17.390 11.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5037 ATOM 5033 OW SOL 1154 0.640 33.320 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5038 ATOM 5034 HW1 SOL 1154 1.270 32.640 12.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5039 ATOM 5035 HW2 SOL 1154 0.840 33.420 13.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5040 ATOM 5036 OW SOL 1155 6.190 25.010 8.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5041 ATOM 5037 HW1 SOL 1155 6.010 25.610 7.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5042 ATOM 5038 HW2 SOL 1155 6.790 25.490 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5043 ATOM 5039 OW SOL 1156 17.150 28.810 17.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5044 ATOM 5040 HW1 SOL 1156 16.550 28.010 17.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5045 ATOM 5041 HW2 SOL 1156 16.890 29.380 18.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5046 ATOM 5042 OW SOL 1157 4.630 18.540 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5047 ATOM 5043 HW1 SOL 1157 4.270 19.440 5.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5048 ATOM 5044 HW2 SOL 1157 5.030 18.100 5.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5049 ATOM 5045 OW SOL 1158 14.570 22.290 2.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5050 ATOM 5046 HW1 SOL 1158 14.930 21.950 3.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5051 ATOM 5047 HW2 SOL 1158 13.630 22.610 2.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5052 ATOM 5048 OW SOL 1159 9.740 24.000 8.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5053 ATOM 5049 HW1 SOL 1159 9.820 24.400 9.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5054 ATOM 5050 HW2 SOL 1159 9.270 24.640 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5055 ATOM 5051 OW SOL 1160 10.240 33.110 17.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5056 ATOM 5052 HW1 SOL 1160 9.790 33.750 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5057 ATOM 5053 HW2 SOL 1160 10.450 32.260 16.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5058 ATOM 5054 OW SOL 1161 18.580 32.510 14.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5059 ATOM 5055 HW1 SOL 1161 19.070 32.780 13.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5060 ATOM 5056 HW2 SOL 1161 19.090 32.810 15.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5061 ATOM 5057 OW SOL 1162 4.010 24.710 15.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5062 ATOM 5058 HW1 SOL 1162 4.560 24.820 14.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5063 ATOM 5059 HW2 SOL 1162 4.000 23.740 15.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5064 ATOM 5060 OW SOL 1163 15.020 21.580 0.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5065 ATOM 5061 HW1 SOL 1163 14.530 20.710 0.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5066 ATOM 5062 HW2 SOL 1163 14.900 22.070 0.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5067 ATOM 5063 OW SOL 1164 12.500 25.750 70.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5068 ATOM 5064 HW1 SOL 1164 11.790 25.540 71.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5069 ATOM 5065 HW2 SOL 1164 12.980 26.580 71.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5070 ATOM 5066 OW SOL 1165 11.610 29.800 7.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5071 ATOM 5067 HW1 SOL 1165 10.670 29.450 7.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5072 ATOM 5068 HW2 SOL 1165 11.760 30.150 6.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5073 ATOM 5069 OW SOL 1166 2.380 27.330 8.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5074 ATOM 5070 HW1 SOL 1166 3.380 27.390 8.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5075 ATOM 5071 HW2 SOL 1166 1.970 27.080 9.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5076 ATOM 5072 OW SOL 1167 1.650 22.610 10.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5077 ATOM 5073 HW1 SOL 1167 2.110 21.830 10.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5078 ATOM 5074 HW2 SOL 1167 2.320 23.240 10.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5079 ATOM 5075 OW SOL 1168 11.940 23.130 14.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5080 ATOM 5076 HW1 SOL 1168 12.210 23.450 15.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5081 ATOM 5077 HW2 SOL 1168 12.680 23.300 14.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5082 ATOM 5078 OW SOL 1169 12.610 19.150 14.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5083 ATOM 5079 HW1 SOL 1169 12.650 19.890 14.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5084 ATOM 5080 HW2 SOL 1169 13.280 19.320 15.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5085 ATOM 5081 OW SOL 1170 71.160 32.230 2.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5086 ATOM 5082 HW1 SOL 1170 70.570 31.450 2.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5087 ATOM 5083 HW2 SOL 1170 71.910 31.950 1.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5088 ATOM 5084 OW SOL 1171 0.870 35.540 9.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5089 ATOM 5085 HW1 SOL 1171 0.430 34.910 8.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5090 ATOM 5086 HW2 SOL 1171 1.860 35.420 9.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5091 ATOM 5087 OW SOL 1172 4.840 32.610 8.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5092 ATOM 5088 HW1 SOL 1172 5.810 32.700 8.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5093 ATOM 5089 HW2 SOL 1172 4.330 32.430 8.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5094 ATOM 5090 OW SOL 1173 10.030 25.630 11.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5095 ATOM 5091 HW1 SOL 1173 9.960 25.620 12.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5096 ATOM 5092 HW2 SOL 1173 9.330 26.230 10.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5097 ATOM 5093 OW SOL 1174 69.730 24.910 10.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5098 ATOM 5094 HW1 SOL 1174 69.430 23.960 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5099 ATOM 5095 HW2 SOL 1174 70.730 24.950 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5100 ATOM 5096 OW SOL 1175 3.690 21.990 15.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5101 ATOM 5097 HW1 SOL 1175 2.860 21.770 16.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5102 ATOM 5098 HW2 SOL 1175 4.100 21.150 15.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5103 ATOM 5099 OW SOL 1176 13.820 27.960 15.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5104 ATOM 5100 HW1 SOL 1176 13.990 28.940 15.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5105 ATOM 5101 HW2 SOL 1176 13.970 27.550 14.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5106 ATOM 5102 OW SOL 1177 8.660 23.770 1.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5107 ATOM 5103 HW1 SOL 1177 7.790 23.780 0.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5108 ATOM 5104 HW2 SOL 1177 8.490 23.470 2.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5109 ATOM 5105 OW SOL 1178 16.450 24.340 11.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5110 ATOM 5106 HW1 SOL 1178 16.270 23.770 12.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5111 ATOM 5107 HW2 SOL 1178 17.430 24.370 11.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5112 ATOM 5108 OW SOL 1179 4.790 33.450 16.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5113 ATOM 5109 HW1 SOL 1179 5.430 32.930 17.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5114 ATOM 5110 HW2 SOL 1179 4.650 32.970 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5115 ATOM 5111 OW SOL 1180 8.980 21.650 11.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5116 ATOM 5112 HW1 SOL 1180 9.160 20.750 12.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5117 ATOM 5113 HW2 SOL 1180 8.290 21.550 11.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5118 ATOM 5114 OW SOL 1181 8.520 33.680 15.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5119 ATOM 5115 HW1 SOL 1181 8.230 32.730 15.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5120 ATOM 5116 HW2 SOL 1181 9.090 33.960 14.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5121 ATOM 5117 OW SOL 1182 3.870 22.780 1.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5122 ATOM 5118 HW1 SOL 1182 4.470 22.420 1.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5123 ATOM 5119 HW2 SOL 1182 3.200 23.410 1.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5124 ATOM 5120 OW SOL 1183 3.620 29.540 13.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5125 ATOM 5121 HW1 SOL 1183 3.730 29.010 14.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5126 ATOM 5122 HW2 SOL 1183 2.650 29.590 13.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5127 ATOM 5123 OW SOL 1184 12.130 27.270 10.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5128 ATOM 5124 HW1 SOL 1184 11.360 26.670 11.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5129 ATOM 5125 HW2 SOL 1184 12.460 27.090 9.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5130 ATOM 5126 OW SOL 1185 14.180 25.250 3.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5131 ATOM 5127 HW1 SOL 1185 14.870 24.930 4.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5132 ATOM 5128 HW2 SOL 1185 13.360 24.680 3.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5133 ATOM 5129 OW SOL 1186 16.830 33.480 12.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5134 ATOM 5130 HW1 SOL 1186 16.900 32.740 11.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5135 ATOM 5131 HW2 SOL 1186 16.850 33.100 13.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5136 ATOM 5132 OW SOL 1187 12.700 35.210 9.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5137 ATOM 5133 HW1 SOL 1187 13.150 35.360 8.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5138 ATOM 5134 HW2 SOL 1187 13.320 34.730 9.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5139 ATOM 5135 OW SOL 1188 1.730 31.220 11.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5140 ATOM 5136 HW1 SOL 1188 1.480 30.510 11.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5141 ATOM 5137 HW2 SOL 1188 1.430 30.950 10.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5142 ATOM 5138 OW SOL 1189 7.180 35.030 17.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5143 ATOM 5139 HW1 SOL 1189 6.350 34.470 17.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5144 ATOM 5140 HW2 SOL 1189 7.790 34.620 16.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5145 ATOM 5141 OW SOL 1190 8.950 19.720 1.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5146 ATOM 5142 HW1 SOL 1190 9.530 20.520 1.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5147 ATOM 5143 HW2 SOL 1190 9.500 19.020 1.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5148 ATOM 5144 OW SOL 1191 17.380 19.890 3.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5149 ATOM 5145 HW1 SOL 1191 17.750 19.680 2.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5150 ATOM 5146 HW2 SOL 1191 17.220 19.040 3.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5151 ATOM 5147 OW SOL 1192 12.860 33.230 4.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5152 ATOM 5148 HW1 SOL 1192 13.180 33.840 3.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5153 ATOM 5149 HW2 SOL 1192 12.130 33.670 4.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5154 ATOM 5150 OW SOL 1193 1.430 37.820 20.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5155 ATOM 5151 HW1 SOL 1193 0.470 37.580 20.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5156 ATOM 5152 HW2 SOL 1193 1.910 37.640 21.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5157 ATOM 5153 OW SOL 1194 12.560 25.890 6.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5158 ATOM 5154 HW1 SOL 1194 12.170 25.020 6.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5159 ATOM 5155 HW2 SOL 1194 12.960 25.760 5.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5160 ATOM 5156 OW SOL 1195 8.850 29.060 12.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5161 ATOM 5157 HW1 SOL 1195 7.860 29.180 12.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5162 ATOM 5158 HW2 SOL 1195 9.130 29.500 11.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5163 ATOM 5159 OW SOL 1196 6.560 34.730 3.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5164 ATOM 5160 HW1 SOL 1196 6.680 34.680 4.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5165 ATOM 5161 HW2 SOL 1196 6.930 33.900 2.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5166 ATOM 5162 OW SOL 1197 16.970 36.230 12.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5167 ATOM 5163 HW1 SOL 1197 17.030 35.250 12.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5168 ATOM 5164 HW2 SOL 1197 16.030 36.460 13.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5169 ATOM 5165 OW SOL 1198 18.380 20.480 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5170 ATOM 5166 HW1 SOL 1198 18.650 19.570 8.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5171 ATOM 5167 HW2 SOL 1198 17.690 20.410 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5172 ATOM 5168 OW SOL 1199 2.790 20.650 5.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5173 ATOM 5169 HW1 SOL 1199 1.930 21.150 5.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5174 ATOM 5170 HW2 SOL 1199 2.680 19.900 6.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5175 ATOM 5171 OW SOL 1200 11.410 33.390 1.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5176 ATOM 5172 HW1 SOL 1200 11.000 32.720 1.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5177 ATOM 5173 HW2 SOL 1200 11.000 33.300 0.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5178 ATOM 5174 OW SOL 1201 10.650 27.870 13.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5179 ATOM 5175 HW1 SOL 1201 11.520 28.340 13.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5180 ATOM 5176 HW2 SOL 1201 9.940 28.300 13.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5181 ATOM 5177 OW SOL 1202 10.080 28.890 3.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5182 ATOM 5178 HW1 SOL 1202 10.180 28.270 3.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5183 ATOM 5179 HW2 SOL 1202 9.980 28.350 4.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5184 ATOM 5180 OW SOL 1203 13.740 34.580 1.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5185 ATOM 5181 HW1 SOL 1203 12.830 34.320 1.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5186 ATOM 5182 HW2 SOL 1203 14.420 33.930 1.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5187 ATOM 5183 OW SOL 1204 6.260 29.440 13.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5188 ATOM 5184 HW1 SOL 1204 6.720 29.870 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5189 ATOM 5185 HW2 SOL 1204 5.270 29.460 13.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5190 ATOM 5186 OW SOL 1205 15.810 30.280 11.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5191 ATOM 5187 HW1 SOL 1205 16.220 30.030 12.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5192 ATOM 5188 HW2 SOL 1205 14.960 30.770 11.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5193 ATOM 5189 OW SOL 1206 10.250 27.530 6.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5194 ATOM 5190 HW1 SOL 1206 9.630 26.760 6.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5195 ATOM 5191 HW2 SOL 1206 11.200 27.240 6.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5196 ATOM 5192 OW SOL 1207 10.100 19.570 9.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5197 ATOM 5193 HW1 SOL 1207 10.910 19.700 8.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5198 ATOM 5194 HW2 SOL 1207 10.140 18.670 9.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5199 ATOM 5195 OW SOL 1208 2.490 32.600 4.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5200 ATOM 5196 HW1 SOL 1208 3.020 33.320 3.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5201 ATOM 5197 HW2 SOL 1208 1.610 32.980 4.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5202 ATOM 5198 OW SOL 1209 19.700 20.870 12.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5203 ATOM 5199 HW1 SOL 1209 20.190 21.730 12.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5204 ATOM 5200 HW2 SOL 1209 18.960 20.780 12.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5205 ATOM 5201 OW SOL 1210 71.700 30.110 4.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5206 ATOM 5202 HW1 SOL 1210 71.970 31.070 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5207 ATOM 5203 HW2 SOL 1210 71.270 29.870 4.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5208 ATOM 5204 OW SOL 1211 3.920 28.080 16.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5209 ATOM 5205 HW1 SOL 1211 3.980 28.860 16.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5210 ATOM 5206 HW2 SOL 1211 3.090 27.560 16.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5211 ATOM 5207 OW SOL 1212 7.420 20.620 14.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5212 ATOM 5208 HW1 SOL 1212 8.400 20.490 14.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5213 ATOM 5209 HW2 SOL 1212 7.230 21.080 15.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5214 ATOM 5210 OW SOL 1213 0.350 22.630 70.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5215 ATOM 5211 HW1 SOL 1213 0.560 23.510 70.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5216 ATOM 5212 HW2 SOL 1213 -0.620 22.610 70.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5217 ATOM 5213 OW SOL 1214 13.860 26.960 12.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5218 ATOM 5214 HW1 SOL 1214 13.280 26.910 12.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5219 ATOM 5215 HW2 SOL 1214 14.800 27.190 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5220 ATOM 5216 OW SOL 1215 0.510 19.640 4.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5221 ATOM 5217 HW1 SOL 1215 1.110 19.290 4.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5222 ATOM 5218 HW2 SOL 1215 0.880 19.400 3.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5223 ATOM 5219 OW SOL 1216 10.520 29.220 0.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5224 ATOM 5220 HW1 SOL 1216 10.600 30.060 1.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5225 ATOM 5221 HW2 SOL 1216 10.660 28.430 1.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5226 ATOM 5222 OW SOL 1217 3.720 27.300 11.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5227 ATOM 5223 HW1 SOL 1217 3.440 28.160 12.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5228 ATOM 5224 HW2 SOL 1217 4.710 27.280 11.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5229 ATOM 5225 OW SOL 1218 14.050 35.570 6.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5230 ATOM 5226 HW1 SOL 1218 14.250 36.550 6.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5231 ATOM 5227 HW2 SOL 1218 14.900 35.050 6.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5232 ATOM 5228 OW SOL 1219 6.190 24.620 13.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5233 ATOM 5229 HW1 SOL 1219 5.920 24.050 12.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5234 ATOM 5230 HW2 SOL 1219 7.100 24.360 13.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5235 ATOM 5231 OW SOL 1220 14.360 30.670 15.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5236 ATOM 5232 HW1 SOL 1220 14.360 30.810 16.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5237 ATOM 5233 HW2 SOL 1220 15.270 30.850 15.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5238 ATOM 5234 OW SOL 1221 3.700 35.510 14.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5239 ATOM 5235 HW1 SOL 1221 3.750 36.420 15.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5240 ATOM 5236 HW2 SOL 1221 4.210 34.860 15.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5241 ATOM 5237 OW SOL 1222 16.330 27.140 11.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5242 ATOM 5238 HW1 SOL 1222 16.590 26.220 11.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5243 ATOM 5239 HW2 SOL 1222 16.710 27.810 11.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5244 ATOM 5240 OW SOL 1223 11.170 21.870 5.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5245 ATOM 5241 HW1 SOL 1223 11.550 20.950 5.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5246 ATOM 5242 HW2 SOL 1223 11.270 22.170 6.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5247 ATOM 5243 OW SOL 1224 5.520 26.740 6.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5248 ATOM 5244 HW1 SOL 1224 5.270 27.710 6.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5249 ATOM 5245 HW2 SOL 1224 4.700 26.190 6.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5250 ATOM 5246 OW SOL 1225 18.040 21.410 15.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5251 ATOM 5247 HW1 SOL 1225 18.750 21.490 14.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5252 ATOM 5248 HW2 SOL 1225 17.520 20.570 15.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5253 ATOM 5249 OW SOL 1226 18.900 25.760 13.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5254 ATOM 5250 HW1 SOL 1226 18.100 26.360 13.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5255 ATOM 5251 HW2 SOL 1226 19.150 25.380 12.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5256 ATOM 5252 OW SOL 1227 9.960 31.390 2.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5257 ATOM 5253 HW1 SOL 1227 9.570 30.880 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5258 ATOM 5254 HW2 SOL 1227 9.220 31.750 1.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5259 ATOM 5255 OW SOL 1228 7.320 33.160 8.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5260 ATOM 5256 HW1 SOL 1228 7.000 34.060 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5261 ATOM 5257 HW2 SOL 1228 7.920 33.260 9.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5262 ATOM 5258 OW SOL 1229 7.990 25.690 6.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5263 ATOM 5259 HW1 SOL 1229 7.360 26.270 5.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5264 ATOM 5260 HW2 SOL 1229 7.690 24.740 6.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5265 ATOM 5261 OW SOL 1230 11.200 27.030 1.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5266 ATOM 5262 HW1 SOL 1230 12.060 26.910 2.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5267 ATOM 5263 HW2 SOL 1230 11.110 26.340 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5268 ATOM 5264 OW SOL 1231 16.620 34.300 6.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5269 ATOM 5265 HW1 SOL 1231 16.590 33.570 6.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5270 ATOM 5266 HW2 SOL 1231 16.750 33.910 7.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5271 ATOM 5267 OW SOL 1232 4.010 30.360 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5272 ATOM 5268 HW1 SOL 1232 3.120 30.400 18.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5273 ATOM 5269 HW2 SOL 1232 4.140 29.450 19.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5274 ATOM 5270 OW SOL 1233 0.250 30.620 8.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5275 ATOM 5271 HW1 SOL 1233 -0.510 29.990 9.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5276 ATOM 5272 HW2 SOL 1233 0.850 30.270 8.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5277 ATOM 5273 OW SOL 1234 7.610 31.250 15.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5278 ATOM 5274 HW1 SOL 1234 8.490 30.870 15.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5279 ATOM 5275 HW2 SOL 1234 7.110 31.570 16.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5280 ATOM 5276 OW SOL 1235 17.820 20.470 10.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5281 ATOM 5277 HW1 SOL 1235 17.130 19.750 11.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5282 ATOM 5278 HW2 SOL 1235 17.800 20.830 10.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5283 ATOM 5279 OW SOL 1236 4.640 22.140 4.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5284 ATOM 5280 HW1 SOL 1236 5.100 21.600 3.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5285 ATOM 5281 HW2 SOL 1236 3.900 21.600 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5286 ATOM 5282 OW SOL 1237 16.380 32.660 8.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5287 ATOM 5283 HW1 SOL 1237 15.640 32.020 8.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5288 ATOM 5284 HW2 SOL 1237 16.990 32.270 9.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5289 ATOM 5285 OW SOL 1238 72.370 24.580 11.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5290 ATOM 5286 HW1 SOL 1238 73.020 25.300 10.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5291 ATOM 5287 HW2 SOL 1238 72.800 23.690 11.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5292 ATOM 5288 OW SOL 1239 5.760 32.700 5.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5293 ATOM 5289 HW1 SOL 1239 6.430 32.640 6.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5294 ATOM 5290 HW2 SOL 1239 4.920 32.230 6.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5295 ATOM 5291 OW SOL 1240 14.980 18.500 8.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5296 ATOM 5292 HW1 SOL 1240 15.420 19.110 7.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5297 ATOM 5293 HW2 SOL 1240 15.560 18.400 8.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5298 ATOM 5294 OW SOL 1241 9.810 17.190 10.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5299 ATOM 5295 HW1 SOL 1241 9.090 16.850 10.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5300 ATOM 5296 HW2 SOL 1241 10.430 16.450 11.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5301 ATOM 5297 OW SOL 1242 7.030 31.860 3.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5302 ATOM 5298 HW1 SOL 1242 6.510 32.170 4.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5303 ATOM 5299 HW2 SOL 1242 6.500 31.180 3.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5304 ATOM 5300 OW SOL 1243 6.430 33.280 12.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5305 ATOM 5301 HW1 SOL 1243 6.820 33.570 11.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5306 ATOM 5302 HW2 SOL 1243 7.150 32.860 13.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5307 ATOM 5303 OW SOL 1244 13.050 19.750 0.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5308 ATOM 5304 HW1 SOL 1244 12.880 20.010 1.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5309 ATOM 5305 HW2 SOL 1244 12.960 18.750 0.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5310 ATOM 5306 OW SOL 1245 12.120 23.450 7.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5311 ATOM 5307 HW1 SOL 1245 11.210 23.560 8.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5312 ATOM 5308 HW2 SOL 1245 12.800 23.400 8.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5313 ATOM 5309 OW SOL 1246 12.420 19.730 7.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5314 ATOM 5310 HW1 SOL 1246 13.330 19.360 7.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5315 ATOM 5311 HW2 SOL 1246 11.970 19.230 6.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5316 ATOM 5312 OW SOL 1247 1.830 30.450 2.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5317 ATOM 5313 HW1 SOL 1247 1.780 31.320 3.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5318 ATOM 5314 HW2 SOL 1247 1.780 29.690 3.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5319 ATOM 5315 OW SOL 1248 9.180 36.220 2.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5320 ATOM 5316 HW1 SOL 1248 8.290 35.790 2.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5321 ATOM 5317 HW2 SOL 1248 9.040 37.100 3.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5322 ATOM 5318 OW SOL 1249 4.060 25.410 17.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5323 ATOM 5319 HW1 SOL 1249 3.200 25.070 18.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5324 ATOM 5320 HW2 SOL 1249 4.080 25.230 16.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5325 ATOM 5321 OW SOL 1250 0.630 21.930 29.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5326 ATOM 5322 HW1 SOL 1250 0.690 21.180 30.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5327 ATOM 5323 HW2 SOL 1250 -0.010 21.670 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5328 ATOM 5324 OW SOL 1251 0.640 23.520 24.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5329 ATOM 5325 HW1 SOL 1251 -0.350 23.450 24.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5330 ATOM 5326 HW2 SOL 1251 0.820 23.510 23.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5331 ATOM 5327 OW SOL 1252 5.810 30.290 31.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5332 ATOM 5328 HW1 SOL 1252 4.880 30.270 31.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5333 ATOM 5329 HW2 SOL 1252 6.110 31.240 31.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5334 ATOM 5330 OW SOL 1253 17.080 33.240 25.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5335 ATOM 5331 HW1 SOL 1253 17.940 33.290 24.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5336 ATOM 5332 HW2 SOL 1253 16.400 33.810 24.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5337 ATOM 5333 OW SOL 1254 11.410 25.480 25.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5338 ATOM 5334 HW1 SOL 1254 11.890 26.160 25.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5339 ATOM 5335 HW2 SOL 1254 11.530 25.680 26.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5340 ATOM 5336 OW SOL 1255 18.490 23.460 20.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5341 ATOM 5337 HW1 SOL 1255 18.680 23.080 19.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5342 ATOM 5338 HW2 SOL 1255 17.570 23.210 20.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5343 ATOM 5339 OW SOL 1256 7.780 28.830 29.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5344 ATOM 5340 HW1 SOL 1256 7.370 29.500 29.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5345 ATOM 5341 HW2 SOL 1256 8.720 28.630 29.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5346 ATOM 5342 OW SOL 1257 9.700 23.280 36.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5347 ATOM 5343 HW1 SOL 1257 9.880 23.240 35.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5348 ATOM 5344 HW2 SOL 1257 10.100 24.120 36.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5349 ATOM 5345 OW SOL 1258 9.210 28.880 25.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5350 ATOM 5346 HW1 SOL 1258 9.180 27.930 25.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5351 ATOM 5347 HW2 SOL 1258 8.290 29.280 25.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5352 ATOM 5348 OW SOL 1259 6.050 31.580 37.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5353 ATOM 5349 HW1 SOL 1259 6.910 31.760 37.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5354 ATOM 5350 HW2 SOL 1259 5.790 32.390 36.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5355 ATOM 5351 OW SOL 1260 3.510 30.240 28.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5356 ATOM 5352 HW1 SOL 1260 2.930 29.940 29.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5357 ATOM 5353 HW2 SOL 1260 3.960 31.100 28.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5358 ATOM 5354 OW SOL 1261 15.020 33.060 32.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5359 ATOM 5355 HW1 SOL 1261 14.920 33.740 32.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5360 ATOM 5356 HW2 SOL 1261 14.120 32.840 33.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5361 ATOM 5357 OW SOL 1262 4.370 21.360 31.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5362 ATOM 5358 HW1 SOL 1262 4.320 20.460 31.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5363 ATOM 5359 HW2 SOL 1262 4.230 21.280 32.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5364 ATOM 5360 OW SOL 1263 15.970 25.000 24.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5365 ATOM 5361 HW1 SOL 1263 15.180 24.470 24.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5366 ATOM 5362 HW2 SOL 1263 15.930 25.150 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5367 ATOM 5363 OW SOL 1264 2.730 35.750 25.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5368 ATOM 5364 HW1 SOL 1264 3.190 35.300 26.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5369 ATOM 5365 HW2 SOL 1264 3.320 35.730 24.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5370 ATOM 5366 OW SOL 1265 10.090 31.060 35.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5371 ATOM 5367 HW1 SOL 1265 10.880 31.000 36.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5372 ATOM 5368 HW2 SOL 1265 10.290 30.590 34.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5373 ATOM 5369 OW SOL 1266 2.590 30.240 22.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5374 ATOM 5370 HW1 SOL 1266 1.750 30.530 22.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5375 ATOM 5371 HW2 SOL 1266 2.510 30.400 23.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5376 ATOM 5372 OW SOL 1267 4.480 27.910 27.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5377 ATOM 5373 HW1 SOL 1267 3.830 27.180 27.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5378 ATOM 5374 HW2 SOL 1267 4.110 28.780 27.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5379 ATOM 5375 OW SOL 1268 5.140 37.590 31.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5380 ATOM 5376 HW1 SOL 1268 4.490 37.660 32.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5381 ATOM 5377 HW2 SOL 1268 6.010 37.240 31.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5382 ATOM 5378 OW SOL 1269 6.750 28.520 21.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5383 ATOM 5379 HW1 SOL 1269 7.000 28.370 20.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5384 ATOM 5380 HW2 SOL 1269 7.570 28.760 21.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5385 ATOM 5381 OW SOL 1270 14.710 18.800 32.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5386 ATOM 5382 HW1 SOL 1270 15.230 19.580 32.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5387 ATOM 5383 HW2 SOL 1270 13.730 18.990 32.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5388 ATOM 5384 OW SOL 1271 3.260 25.300 25.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5389 ATOM 5385 HW1 SOL 1271 3.230 24.340 25.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5390 ATOM 5386 HW2 SOL 1271 2.760 25.430 26.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5391 ATOM 5387 OW SOL 1272 18.040 35.190 22.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5392 ATOM 5388 HW1 SOL 1272 17.690 34.620 22.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5393 ATOM 5389 HW2 SOL 1272 19.030 35.080 22.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5394 ATOM 5390 OW SOL 1273 0.060 31.950 19.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5395 ATOM 5391 HW1 SOL 1273 0.570 31.550 18.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5396 ATOM 5392 HW2 SOL 1273 -0.740 31.390 19.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5397 ATOM 5393 OW SOL 1274 17.530 28.940 24.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5398 ATOM 5394 HW1 SOL 1274 18.500 28.870 24.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5399 ATOM 5395 HW2 SOL 1274 17.050 29.420 23.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5400 ATOM 5396 OW SOL 1275 19.030 31.600 21.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5401 ATOM 5397 HW1 SOL 1275 18.990 30.600 21.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5402 ATOM 5398 HW2 SOL 1275 19.410 31.890 22.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5403 ATOM 5399 OW SOL 1276 2.950 25.350 35.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5404 ATOM 5400 HW1 SOL 1276 3.940 25.350 35.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5405 ATOM 5401 HW2 SOL 1276 2.640 26.290 35.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5406 ATOM 5402 OW SOL 1277 7.070 31.580 27.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5407 ATOM 5403 HW1 SOL 1277 6.960 30.740 26.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5408 ATOM 5404 HW2 SOL 1277 6.990 32.380 26.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5409 ATOM 5405 OW SOL 1278 13.740 29.860 34.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5410 ATOM 5406 HW1 SOL 1278 13.020 30.410 35.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5411 ATOM 5407 HW2 SOL 1278 14.610 30.360 34.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5412 ATOM 5408 OW SOL 1279 6.850 19.750 24.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5413 ATOM 5409 HW1 SOL 1279 7.080 20.710 24.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5414 ATOM 5410 HW2 SOL 1279 5.860 19.620 24.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5415 ATOM 5411 OW SOL 1280 5.490 28.050 33.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5416 ATOM 5412 HW1 SOL 1280 5.350 28.890 32.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5417 ATOM 5413 HW2 SOL 1280 5.210 27.270 32.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5418 ATOM 5414 OW SOL 1281 15.710 29.740 20.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5419 ATOM 5415 HW1 SOL 1281 15.320 28.930 19.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5420 ATOM 5416 HW2 SOL 1281 15.820 29.570 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5421 ATOM 5417 OW SOL 1282 12.490 35.550 34.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5422 ATOM 5418 HW1 SOL 1282 13.370 35.970 34.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5423 ATOM 5419 HW2 SOL 1282 12.140 35.080 34.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5424 ATOM 5420 OW SOL 1283 5.510 23.290 37.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5425 ATOM 5421 HW1 SOL 1283 4.580 23.620 37.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5426 ATOM 5422 HW2 SOL 1283 6.140 23.900 38.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5427 ATOM 5423 OW SOL 1284 15.820 33.680 28.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5428 ATOM 5424 HW1 SOL 1284 15.230 33.100 29.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5429 ATOM 5425 HW2 SOL 1284 15.990 33.240 27.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5430 ATOM 5426 OW SOL 1285 17.950 37.720 24.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5431 ATOM 5427 HW1 SOL 1285 17.710 36.800 23.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5432 ATOM 5428 HW2 SOL 1285 17.170 38.110 24.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5433 ATOM 5429 OW SOL 1286 5.220 24.700 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5434 ATOM 5430 HW1 SOL 1286 5.130 23.730 22.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5435 ATOM 5431 HW2 SOL 1286 5.200 25.220 22.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5436 ATOM 5432 OW SOL 1287 14.350 23.860 28.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5437 ATOM 5433 HW1 SOL 1287 13.580 23.240 28.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5438 ATOM 5434 HW2 SOL 1287 14.530 23.970 29.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5439 ATOM 5435 OW SOL 1288 15.740 36.910 19.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5440 ATOM 5436 HW1 SOL 1288 16.440 36.860 20.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5441 ATOM 5437 HW2 SOL 1288 15.430 35.990 19.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5442 ATOM 5438 OW SOL 1289 7.500 24.220 33.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5443 ATOM 5439 HW1 SOL 1289 7.880 23.480 33.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5444 ATOM 5440 HW2 SOL 1289 7.200 23.850 32.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5445 ATOM 5441 OW SOL 1290 13.740 22.890 34.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5446 ATOM 5442 HW1 SOL 1290 13.840 22.910 35.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5447 ATOM 5443 HW2 SOL 1290 14.640 23.050 34.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5448 ATOM 5444 OW SOL 1291 10.340 26.330 34.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5449 ATOM 5445 HW1 SOL 1291 10.420 25.400 34.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5450 ATOM 5446 HW2 SOL 1291 11.250 26.690 34.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5451 ATOM 5447 OW SOL 1292 9.960 21.490 31.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5452 ATOM 5448 HW1 SOL 1292 9.010 21.670 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5453 ATOM 5449 HW2 SOL 1292 9.970 20.890 30.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5454 ATOM 5450 OW SOL 1293 10.400 24.830 22.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5455 ATOM 5451 HW1 SOL 1293 10.660 25.150 22.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5456 ATOM 5452 HW2 SOL 1293 9.400 24.770 21.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5457 ATOM 5453 OW SOL 1294 0.890 27.670 27.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5458 ATOM 5454 HW1 SOL 1294 1.320 26.920 27.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5459 ATOM 5455 HW2 SOL 1294 0.900 28.500 27.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5460 ATOM 5456 OW SOL 1295 0.980 38.390 35.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5461 ATOM 5457 HW1 SOL 1295 1.030 38.120 36.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5462 ATOM 5458 HW2 SOL 1295 0.200 37.930 34.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5463 ATOM 5459 OW SOL 1296 8.240 22.280 16.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5464 ATOM 5460 HW1 SOL 1296 9.150 21.870 16.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5465 ATOM 5461 HW2 SOL 1296 7.840 21.900 17.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5466 ATOM 5462 OW SOL 1297 17.190 25.450 37.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5467 ATOM 5463 HW1 SOL 1297 18.130 25.130 37.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5468 ATOM 5464 HW2 SOL 1297 16.910 25.260 36.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5469 ATOM 5465 OW SOL 1298 16.340 30.590 22.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5470 ATOM 5466 HW1 SOL 1298 16.980 31.270 22.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5471 ATOM 5467 HW2 SOL 1298 15.470 31.040 23.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5472 ATOM 5468 OW SOL 1299 6.700 19.450 30.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5473 ATOM 5469 HW1 SOL 1299 5.890 19.000 30.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5474 ATOM 5470 HW2 SOL 1299 7.020 20.150 30.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5475 ATOM 5471 OW SOL 1300 11.380 32.790 24.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5476 ATOM 5472 HW1 SOL 1300 10.920 33.680 24.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5477 ATOM 5473 HW2 SOL 1300 11.520 32.530 25.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5478 ATOM 5474 OW SOL 1301 4.510 34.970 27.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5479 ATOM 5475 HW1 SOL 1301 4.900 34.150 28.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5480 ATOM 5476 HW2 SOL 1301 5.240 35.650 27.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5481 ATOM 5477 OW SOL 1302 18.270 28.420 27.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5482 ATOM 5478 HW1 SOL 1302 18.050 28.690 26.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5483 ATOM 5479 HW2 SOL 1302 17.750 28.980 27.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5484 ATOM 5480 OW SOL 1303 12.460 32.610 33.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5485 ATOM 5481 HW1 SOL 1303 12.240 31.640 33.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5486 ATOM 5482 HW2 SOL 1303 11.620 33.150 33.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5487 ATOM 5483 OW SOL 1304 4.020 27.750 19.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5488 ATOM 5484 HW1 SOL 1304 4.740 27.570 20.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5489 ATOM 5485 HW2 SOL 1304 4.090 27.090 18.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5490 ATOM 5486 OW SOL 1305 15.220 27.490 23.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5491 ATOM 5487 HW1 SOL 1305 15.630 26.650 24.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5492 ATOM 5488 HW2 SOL 1305 15.660 28.290 24.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5493 ATOM 5489 OW SOL 1306 4.410 34.980 37.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5494 ATOM 5490 HW1 SOL 1306 3.990 35.000 36.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5495 ATOM 5491 HW2 SOL 1306 3.700 34.860 37.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5496 ATOM 5492 OW SOL 1307 10.960 36.000 20.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5497 ATOM 5493 HW1 SOL 1307 10.700 35.840 21.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5498 ATOM 5494 HW2 SOL 1307 11.390 35.190 20.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5499 ATOM 5495 OW SOL 1308 3.180 21.000 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5500 ATOM 5496 HW1 SOL 1308 2.550 21.780 33.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5501 ATOM 5497 HW2 SOL 1308 2.980 20.470 34.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5502 ATOM 5498 OW SOL 1309 17.390 33.650 20.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5503 ATOM 5499 HW1 SOL 1309 18.000 32.910 21.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5504 ATOM 5500 HW2 SOL 1309 16.540 33.260 20.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5505 ATOM 5501 OW SOL 1310 4.240 35.930 23.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5506 ATOM 5502 HW1 SOL 1310 4.570 36.690 22.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5507 ATOM 5503 HW2 SOL 1310 4.790 35.120 23.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5508 ATOM 5504 OW SOL 1311 14.300 22.000 22.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5509 ATOM 5505 HW1 SOL 1311 13.740 21.270 22.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5510 ATOM 5506 HW2 SOL 1311 14.830 21.660 23.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5511 ATOM 5507 OW SOL 1312 1.680 37.150 30.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5512 ATOM 5508 HW1 SOL 1312 2.250 37.090 31.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5513 ATOM 5509 HW2 SOL 1312 1.930 36.420 30.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5514 ATOM 5510 OW SOL 1313 9.510 35.350 26.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5515 ATOM 5511 HW1 SOL 1313 10.410 34.920 26.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5516 ATOM 5512 HW2 SOL 1313 8.810 34.720 26.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5517 ATOM 5513 OW SOL 1314 5.310 26.210 24.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5518 ATOM 5514 HW1 SOL 1314 4.500 25.950 24.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5519 ATOM 5515 HW2 SOL 1314 5.120 27.060 23.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5520 ATOM 5516 OW SOL 1315 15.080 19.290 37.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5521 ATOM 5517 HW1 SOL 1315 14.950 18.450 36.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5522 ATOM 5518 HW2 SOL 1315 15.540 19.980 36.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5523 ATOM 5519 OW SOL 1316 7.510 20.540 19.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5524 ATOM 5520 HW1 SOL 1316 8.310 20.000 18.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5525 ATOM 5521 HW2 SOL 1316 6.690 20.100 18.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5526 ATOM 5522 OW SOL 1317 7.770 21.560 35.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5527 ATOM 5523 HW1 SOL 1317 6.990 21.320 35.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5528 ATOM 5524 HW2 SOL 1317 8.520 21.900 35.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5529 ATOM 5525 OW SOL 1318 9.720 32.620 31.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5530 ATOM 5526 HW1 SOL 1318 9.570 32.360 30.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5531 ATOM 5527 HW2 SOL 1318 10.040 31.820 31.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5532 ATOM 5528 OW SOL 1319 11.940 24.330 31.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5533 ATOM 5529 HW1 SOL 1319 12.880 24.320 31.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5534 ATOM 5530 HW2 SOL 1319 11.520 25.210 31.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5535 ATOM 5531 OW SOL 1320 9.360 31.810 28.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5536 ATOM 5532 HW1 SOL 1320 10.250 31.650 28.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5537 ATOM 5533 HW2 SOL 1320 8.640 31.700 27.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5538 ATOM 5534 OW SOL 1321 11.780 22.670 29.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5539 ATOM 5535 HW1 SOL 1321 11.630 23.180 29.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5540 ATOM 5536 HW2 SOL 1321 11.450 21.730 29.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5541 ATOM 5537 OW SOL 1322 4.210 19.800 23.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5542 ATOM 5538 HW1 SOL 1322 3.550 19.740 24.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5543 ATOM 5539 HW2 SOL 1322 4.090 20.670 23.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5544 ATOM 5540 OW SOL 1323 14.390 31.130 18.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5545 ATOM 5541 HW1 SOL 1323 14.750 30.610 19.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5546 ATOM 5542 HW2 SOL 1323 13.450 31.410 18.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5547 ATOM 5543 OW SOL 1324 3.360 19.530 20.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5548 ATOM 5544 HW1 SOL 1324 3.550 20.360 20.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5549 ATOM 5545 HW2 SOL 1324 4.210 19.160 20.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5550 ATOM 5546 OW SOL 1325 7.810 22.140 24.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5551 ATOM 5547 HW1 SOL 1325 7.870 22.850 23.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5552 ATOM 5548 HW2 SOL 1325 8.640 22.180 25.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5553 ATOM 5549 OW SOL 1326 10.760 23.500 34.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5554 ATOM 5550 HW1 SOL 1326 10.570 22.980 33.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5555 ATOM 5551 HW2 SOL 1326 11.750 23.540 34.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5556 ATOM 5552 OW SOL 1327 11.720 33.820 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5557 ATOM 5553 HW1 SOL 1327 12.440 34.370 26.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5558 ATOM 5554 HW2 SOL 1327 11.750 33.910 27.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5559 ATOM 5555 OW SOL 1328 6.130 29.530 25.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5560 ATOM 5556 HW1 SOL 1328 5.540 29.020 25.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5561 ATOM 5557 HW2 SOL 1328 5.890 29.300 24.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5562 ATOM 5558 OW SOL 1329 13.380 35.840 26.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5563 ATOM 5559 HW1 SOL 1329 12.630 36.420 25.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5564 ATOM 5560 HW2 SOL 1329 13.930 36.330 26.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5565 ATOM 5561 OW SOL 1330 11.950 24.730 17.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5566 ATOM 5562 HW1 SOL 1330 10.990 24.920 17.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5567 ATOM 5563 HW2 SOL 1330 12.110 24.760 18.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5568 ATOM 5564 OW SOL 1331 72.560 23.410 32.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5569 ATOM 5565 HW1 SOL 1331 72.940 22.980 31.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5570 ATOM 5566 HW2 SOL 1331 73.290 23.570 32.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5571 ATOM 5567 OW SOL 1332 4.380 18.590 30.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5572 ATOM 5568 HW1 SOL 1332 4.250 18.300 31.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5573 ATOM 5569 HW2 SOL 1332 3.730 18.100 30.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5574 ATOM 5570 OW SOL 1333 6.020 23.540 26.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5575 ATOM 5571 HW1 SOL 1333 6.070 24.540 26.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5576 ATOM 5572 HW2 SOL 1333 6.810 23.150 25.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5577 ATOM 5573 OW SOL 1334 9.490 18.860 25.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5578 ATOM 5574 HW1 SOL 1334 8.630 19.220 25.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5579 ATOM 5575 HW2 SOL 1334 9.350 17.900 26.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5580 ATOM 5576 OW SOL 1335 15.540 31.520 26.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5581 ATOM 5577 HW1 SOL 1335 14.640 31.140 26.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5582 ATOM 5578 HW2 SOL 1335 15.880 32.070 25.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5583 ATOM 5579 OW SOL 1336 16.160 25.780 27.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5584 ATOM 5580 HW1 SOL 1336 15.700 24.920 27.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5585 ATOM 5581 HW2 SOL 1336 16.840 25.970 28.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5586 ATOM 5582 OW SOL 1337 18.510 26.120 21.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5587 ATOM 5583 HW1 SOL 1337 18.980 26.230 22.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5588 ATOM 5584 HW2 SOL 1337 18.580 25.170 20.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5589 ATOM 5585 OW SOL 1338 6.430 31.610 17.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5590 ATOM 5586 HW1 SOL 1338 5.630 31.160 18.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5591 ATOM 5587 HW2 SOL 1338 7.250 31.350 18.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5592 ATOM 5588 OW SOL 1339 19.640 32.700 24.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5593 ATOM 5589 HW1 SOL 1339 19.660 32.200 25.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5594 ATOM 5590 HW2 SOL 1339 20.250 33.490 24.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5595 ATOM 5591 OW SOL 1340 14.900 23.900 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5596 ATOM 5592 HW1 SOL 1340 13.920 24.110 17.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5597 ATOM 5593 HW2 SOL 1340 15.080 23.060 17.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5598 ATOM 5594 OW SOL 1341 5.820 21.960 21.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5599 ATOM 5595 HW1 SOL 1341 6.360 21.180 20.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5600 ATOM 5596 HW2 SOL 1341 5.900 22.710 20.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5601 ATOM 5597 OW SOL 1342 19.510 31.500 31.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5602 ATOM 5598 HW1 SOL 1342 19.830 30.580 32.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5603 ATOM 5599 HW2 SOL 1342 19.290 31.980 32.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5604 ATOM 5600 OW SOL 1343 10.640 30.410 32.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5605 ATOM 5601 HW1 SOL 1343 9.770 29.920 32.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5606 ATOM 5602 HW2 SOL 1343 11.270 29.920 32.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5607 ATOM 5603 OW SOL 1344 15.860 34.710 35.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5608 ATOM 5604 HW1 SOL 1344 15.840 35.650 34.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5609 ATOM 5605 HW2 SOL 1344 16.070 34.080 34.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5610 ATOM 5606 OW SOL 1345 13.360 30.310 28.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5611 ATOM 5607 HW1 SOL 1345 14.190 29.830 28.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5612 ATOM 5608 HW2 SOL 1345 12.590 30.050 28.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5613 ATOM 5609 OW SOL 1346 16.780 30.150 28.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5614 ATOM 5610 HW1 SOL 1346 16.950 30.580 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5615 ATOM 5611 HW2 SOL 1346 16.280 30.790 28.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5616 ATOM 5612 OW SOL 1347 9.070 18.630 32.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5617 ATOM 5613 HW1 SOL 1347 9.970 18.810 32.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5618 ATOM 5614 HW2 SOL 1347 9.140 17.900 31.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5619 ATOM 5615 OW SOL 1348 9.480 27.930 36.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5620 ATOM 5616 HW1 SOL 1348 8.530 28.220 36.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5621 ATOM 5617 HW2 SOL 1348 9.730 27.270 35.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5622 ATOM 5618 OW SOL 1349 9.170 28.690 22.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5623 ATOM 5619 HW1 SOL 1349 9.180 28.590 23.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5624 ATOM 5620 HW2 SOL 1349 9.480 27.840 22.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5625 ATOM 5621 OW SOL 1350 4.110 26.220 31.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5626 ATOM 5622 HW1 SOL 1350 4.870 26.510 30.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5627 ATOM 5623 HW2 SOL 1350 3.860 25.280 30.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5628 ATOM 5624 OW SOL 1351 12.790 21.120 31.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5629 ATOM 5625 HW1 SOL 1351 13.400 21.830 31.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5630 ATOM 5626 HW2 SOL 1351 11.840 21.410 31.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5631 ATOM 5627 OW SOL 1352 1.740 34.110 34.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5632 ATOM 5628 HW1 SOL 1352 0.880 34.030 34.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5633 ATOM 5629 HW2 SOL 1352 1.740 33.490 33.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5634 ATOM 5630 OW SOL 1353 5.020 28.620 23.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5635 ATOM 5631 HW1 SOL 1353 4.260 29.240 22.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5636 ATOM 5632 HW2 SOL 1353 5.590 28.550 22.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5637 ATOM 5633 OW SOL 1354 3.660 22.520 25.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5638 ATOM 5634 HW1 SOL 1354 3.800 21.820 24.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5639 ATOM 5635 HW2 SOL 1354 4.510 22.660 25.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5640 ATOM 5636 OW SOL 1355 14.290 32.440 22.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5641 ATOM 5637 HW1 SOL 1355 14.610 33.310 23.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5642 ATOM 5638 HW2 SOL 1355 13.340 32.290 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5643 ATOM 5639 OW SOL 1356 13.600 32.640 30.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5644 ATOM 5640 HW1 SOL 1356 13.740 32.400 31.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5645 ATOM 5641 HW2 SOL 1356 13.480 31.810 29.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5646 ATOM 5642 OW SOL 1357 15.730 26.010 21.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5647 ATOM 5643 HW1 SOL 1357 15.280 26.350 22.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5648 ATOM 5644 HW2 SOL 1357 16.720 26.170 21.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5649 ATOM 5645 OW SOL 1358 2.250 33.000 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5650 ATOM 5646 HW1 SOL 1358 3.060 32.500 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5651 ATOM 5647 HW2 SOL 1358 2.050 33.720 30.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5652 ATOM 5648 OW SOL 1359 6.180 26.900 37.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5653 ATOM 5649 HW1 SOL 1359 6.190 26.390 36.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5654 ATOM 5650 HW2 SOL 1359 6.840 26.490 37.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5655 ATOM 5651 OW SOL 1360 17.410 28.090 35.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5656 ATOM 5652 HW1 SOL 1360 16.460 28.030 36.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5657 ATOM 5653 HW2 SOL 1360 17.450 28.380 34.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5658 ATOM 5654 OW SOL 1361 9.530 18.660 37.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5659 ATOM 5655 HW1 SOL 1361 10.160 19.430 37.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5660 ATOM 5656 HW2 SOL 1361 10.000 17.810 36.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5661 ATOM 5657 OW SOL 1362 5.520 20.520 36.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5662 ATOM 5658 HW1 SOL 1362 4.950 19.710 36.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5663 ATOM 5659 HW2 SOL 1362 5.190 21.270 37.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5664 ATOM 5660 OW SOL 1363 5.790 26.800 29.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5665 ATOM 5661 HW1 SOL 1363 5.350 27.370 28.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5666 ATOM 5662 HW2 SOL 1363 6.760 27.040 29.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5667 ATOM 5663 OW SOL 1364 13.950 27.670 27.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5668 ATOM 5664 HW1 SOL 1364 13.130 27.080 27.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5669 ATOM 5665 HW2 SOL 1364 14.760 27.120 27.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5670 ATOM 5666 OW SOL 1365 12.540 24.710 20.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5671 ATOM 5667 HW1 SOL 1365 13.240 24.890 20.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5672 ATOM 5668 HW2 SOL 1365 11.660 24.550 20.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5673 ATOM 5669 OW SOL 1366 0.480 19.720 31.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5674 ATOM 5670 HW1 SOL 1366 1.110 19.650 32.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5675 ATOM 5671 HW2 SOL 1366 0.680 18.990 30.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5676 ATOM 5672 OW SOL 1367 0.510 31.630 35.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5677 ATOM 5673 HW1 SOL 1367 0.690 30.910 36.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5678 ATOM 5674 HW2 SOL 1367 1.310 32.220 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5679 ATOM 5675 OW SOL 1368 6.310 23.930 29.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5680 ATOM 5676 HW1 SOL 1368 6.300 23.700 28.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5681 ATOM 5677 HW2 SOL 1368 6.140 24.910 29.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5682 ATOM 5678 OW SOL 1369 19.780 27.430 37.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5683 ATOM 5679 HW1 SOL 1369 18.960 27.540 36.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5684 ATOM 5680 HW2 SOL 1369 19.500 27.350 37.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5685 ATOM 5681 OW SOL 1370 2.240 18.690 25.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5686 ATOM 5682 HW1 SOL 1370 1.590 19.440 25.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5687 ATOM 5683 HW2 SOL 1370 2.630 18.540 26.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5688 ATOM 5684 OW SOL 1371 15.800 23.260 20.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5689 ATOM 5685 HW1 SOL 1371 15.130 22.660 21.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5690 ATOM 5686 HW2 SOL 1371 15.760 24.170 21.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5691 ATOM 5687 OW SOL 1372 11.940 25.850 28.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5692 ATOM 5688 HW1 SOL 1372 11.060 25.780 28.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5693 ATOM 5689 HW2 SOL 1372 12.550 25.140 28.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5694 ATOM 5690 OW SOL 1373 8.550 33.180 34.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5695 ATOM 5691 HW1 SOL 1373 9.300 33.640 34.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5696 ATOM 5692 HW2 SOL 1373 8.860 32.290 35.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5697 ATOM 5693 OW SOL 1374 18.610 32.680 34.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5698 ATOM 5694 HW1 SOL 1374 18.840 33.600 33.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5699 ATOM 5695 HW2 SOL 1374 18.890 32.560 35.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5700 ATOM 5696 OW SOL 1375 4.720 29.070 37.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5701 ATOM 5697 HW1 SOL 1375 5.210 29.940 37.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5702 ATOM 5698 HW2 SOL 1375 5.360 28.320 37.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5703 ATOM 5699 OW SOL 1376 14.650 21.650 18.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5704 ATOM 5700 HW1 SOL 1376 13.980 21.090 19.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5705 ATOM 5701 HW2 SOL 1376 15.310 22.030 19.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5706 ATOM 5702 OW SOL 1377 15.690 26.530 16.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5707 ATOM 5703 HW1 SOL 1377 15.510 25.560 17.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5708 ATOM 5704 HW2 SOL 1377 14.910 26.940 16.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5709 ATOM 5705 OW SOL 1378 11.250 29.950 26.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5710 ATOM 5706 HW1 SOL 1378 12.010 29.920 26.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5711 ATOM 5707 HW2 SOL 1378 10.430 29.560 26.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5712 ATOM 5708 OW SOL 1379 2.590 26.050 28.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5713 ATOM 5709 HW1 SOL 1379 3.190 26.080 29.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5714 ATOM 5710 HW2 SOL 1379 2.140 25.160 28.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5715 ATOM 5711 OW SOL 1380 1.870 23.540 27.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5716 ATOM 5712 HW1 SOL 1380 1.930 22.760 28.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5717 ATOM 5713 HW2 SOL 1380 1.930 23.230 26.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5718 ATOM 5714 OW SOL 1381 12.640 20.440 34.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5719 ATOM 5715 HW1 SOL 1381 12.260 20.590 35.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5720 ATOM 5716 HW2 SOL 1381 12.990 21.300 34.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5721 ATOM 5717 OW SOL 1382 11.700 18.950 32.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5722 ATOM 5718 HW1 SOL 1382 11.940 19.320 33.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5723 ATOM 5719 HW2 SOL 1382 11.810 19.650 32.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5724 ATOM 5720 OW SOL 1383 1.520 29.540 17.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5725 ATOM 5721 HW1 SOL 1383 1.060 29.890 17.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5726 ATOM 5722 HW2 SOL 1383 0.840 29.120 18.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5727 ATOM 5723 OW SOL 1384 2.320 34.910 29.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5728 ATOM 5724 HW1 SOL 1384 1.800 34.240 28.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5729 ATOM 5725 HW2 SOL 1384 3.250 34.960 29.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5730 ATOM 5726 OW SOL 1385 5.260 32.420 29.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5731 ATOM 5727 HW1 SOL 1385 5.820 32.520 29.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5732 ATOM 5728 HW2 SOL 1385 5.800 31.960 28.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5733 ATOM 5729 OW SOL 1386 9.450 25.200 29.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5734 ATOM 5730 HW1 SOL 1386 9.430 24.240 29.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5735 ATOM 5731 HW2 SOL 1386 9.620 25.790 30.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5736 ATOM 5732 OW SOL 1387 71.990 24.680 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5737 ATOM 5733 HW1 SOL 1387 72.800 24.430 28.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5738 ATOM 5734 HW2 SOL 1387 72.060 25.630 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5739 ATOM 5735 OW SOL 1388 1.430 23.050 34.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5740 ATOM 5736 HW1 SOL 1388 1.060 22.770 35.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5741 ATOM 5737 HW2 SOL 1388 2.260 23.580 34.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5742 ATOM 5738 OW SOL 1389 12.780 27.510 34.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5743 ATOM 5739 HW1 SOL 1389 13.100 28.410 34.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5744 ATOM 5740 HW2 SOL 1389 13.350 27.170 33.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5745 ATOM 5741 OW SOL 1390 7.890 24.890 21.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5746 ATOM 5742 HW1 SOL 1390 8.210 25.740 20.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5747 ATOM 5743 HW2 SOL 1390 6.890 24.870 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5748 ATOM 5744 OW SOL 1391 17.350 25.740 30.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5749 ATOM 5745 HW1 SOL 1391 16.770 25.010 30.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5750 ATOM 5746 HW2 SOL 1391 18.300 25.540 30.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5751 ATOM 5747 OW SOL 1392 4.630 37.850 35.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5752 ATOM 5748 HW1 SOL 1392 4.160 37.860 36.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5753 ATOM 5749 HW2 SOL 1392 4.720 36.910 35.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5754 ATOM 5750 OW SOL 1393 6.820 22.470 31.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5755 ATOM 5751 HW1 SOL 1393 6.000 22.140 31.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5756 ATOM 5752 HW2 SOL 1393 6.560 22.860 30.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5757 ATOM 5753 OW SOL 1394 10.360 34.240 33.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5758 ATOM 5754 HW1 SOL 1394 10.230 33.790 32.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5759 ATOM 5755 HW2 SOL 1394 10.120 35.200 33.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5760 ATOM 5756 OW SOL 1395 5.750 23.480 18.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5761 ATOM 5757 HW1 SOL 1395 6.690 23.610 18.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5762 ATOM 5758 HW2 SOL 1395 5.220 24.300 18.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5763 ATOM 5759 OW SOL 1396 2.190 27.710 32.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5764 ATOM 5760 HW1 SOL 1396 2.430 27.890 33.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5765 ATOM 5761 HW2 SOL 1396 2.660 26.880 32.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5766 ATOM 5762 OW SOL 1397 12.560 29.010 31.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5767 ATOM 5763 HW1 SOL 1397 13.380 28.710 31.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5768 ATOM 5764 HW2 SOL 1397 12.840 29.460 30.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5769 ATOM 5765 OW SOL 1398 14.620 27.530 19.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5770 ATOM 5766 HW1 SOL 1398 15.100 26.920 19.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5771 ATOM 5767 HW2 SOL 1398 14.620 27.120 18.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5772 ATOM 5768 OW SOL 1399 17.290 37.510 30.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5773 ATOM 5769 HW1 SOL 1399 17.940 38.270 30.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5774 ATOM 5770 HW2 SOL 1399 17.780 36.650 30.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5775 ATOM 5771 OW SOL 1400 12.430 34.900 29.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5776 ATOM 5772 HW1 SOL 1400 13.270 35.160 28.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5777 ATOM 5773 HW2 SOL 1400 12.570 34.050 29.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5778 ATOM 5774 OW SOL 1401 3.010 29.850 31.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5779 ATOM 5775 HW1 SOL 1401 2.700 29.120 31.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5780 ATOM 5776 HW2 SOL 1401 2.410 30.640 31.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5781 ATOM 5777 OW SOL 1402 6.510 34.070 33.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5782 ATOM 5778 HW1 SOL 1402 6.750 35.030 33.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5783 ATOM 5779 HW2 SOL 1402 7.180 33.670 34.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5784 ATOM 5780 OW SOL 1403 17.920 21.580 23.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5785 ATOM 5781 HW1 SOL 1403 17.980 21.550 22.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5786 ATOM 5782 HW2 SOL 1403 17.150 21.020 23.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5787 ATOM 5783 OW SOL 1404 15.020 34.850 23.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5788 ATOM 5784 HW1 SOL 1404 15.190 35.340 23.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5789 ATOM 5785 HW2 SOL 1404 14.220 35.240 24.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5790 ATOM 5786 OW SOL 1405 1.260 37.410 37.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5791 ATOM 5787 HW1 SOL 1405 0.770 36.790 38.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5792 ATOM 5788 HW2 SOL 1405 2.250 37.300 38.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5793 ATOM 5789 OW SOL 1406 12.330 27.530 23.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5794 ATOM 5790 HW1 SOL 1406 13.310 27.680 23.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5795 ATOM 5791 HW2 SOL 1406 11.910 27.820 22.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5796 ATOM 5792 OW SOL 1407 8.120 29.560 32.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5797 ATOM 5793 HW1 SOL 1407 7.940 29.380 33.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5798 ATOM 5794 HW2 SOL 1407 7.280 29.820 32.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5799 ATOM 5795 OW SOL 1408 8.380 34.100 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5800 ATOM 5796 HW1 SOL 1408 8.720 33.320 20.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5801 ATOM 5797 HW2 SOL 1408 8.020 34.790 20.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5802 ATOM 5798 OW SOL 1409 15.860 35.490 32.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5803 ATOM 5799 HW1 SOL 1409 16.530 36.020 31.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5804 ATOM 5800 HW2 SOL 1409 15.270 36.110 32.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5805 ATOM 5801 OW SOL 1410 18.030 21.410 27.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5806 ATOM 5802 HW1 SOL 1410 18.490 22.130 28.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5807 ATOM 5803 HW2 SOL 1410 17.110 21.710 27.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5808 ATOM 5804 OW SOL 1411 0.720 20.840 25.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5809 ATOM 5805 HW1 SOL 1411 0.920 21.750 25.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5810 ATOM 5806 HW2 SOL 1411 0.050 20.910 26.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5811 ATOM 5807 OW SOL 1412 12.210 34.070 19.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5812 ATOM 5808 HW1 SOL 1412 12.270 33.280 19.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5813 ATOM 5809 HW2 SOL 1412 11.580 33.860 18.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5814 ATOM 5810 OW SOL 1413 10.860 26.590 31.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5815 ATOM 5811 HW1 SOL 1413 11.330 27.480 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5816 ATOM 5812 HW2 SOL 1413 10.190 26.620 32.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5817 ATOM 5813 OW SOL 1414 10.950 27.540 20.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5818 ATOM 5814 HW1 SOL 1414 11.450 28.180 20.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5819 ATOM 5815 HW2 SOL 1414 10.790 26.680 20.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5820 ATOM 5816 OW SOL 1415 14.900 34.520 18.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5821 ATOM 5817 HW1 SOL 1415 13.900 34.520 18.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5822 ATOM 5818 HW2 SOL 1415 15.240 33.950 17.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5823 ATOM 5819 OW SOL 1416 4.210 35.270 34.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5824 ATOM 5820 HW1 SOL 1416 4.990 34.660 34.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5825 ATOM 5821 HW2 SOL 1416 3.380 34.790 34.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5826 ATOM 5822 OW SOL 1417 16.590 31.490 31.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5827 ATOM 5823 HW1 SOL 1417 17.570 31.490 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5828 ATOM 5824 HW2 SOL 1417 16.100 31.880 31.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5829 ATOM 5825 OW SOL 1418 13.440 29.550 25.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5830 ATOM 5826 HW1 SOL 1418 14.090 28.950 25.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5831 ATOM 5827 HW2 SOL 1418 12.950 29.020 24.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5832 ATOM 5828 OW SOL 1419 10.690 20.120 29.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5833 ATOM 5829 HW1 SOL 1419 10.390 20.100 28.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5834 ATOM 5830 HW2 SOL 1419 11.070 19.220 29.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5835 ATOM 5831 OW SOL 1420 5.900 34.070 22.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5836 ATOM 5832 HW1 SOL 1420 6.770 34.120 22.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5837 ATOM 5833 HW2 SOL 1420 5.360 33.310 22.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5838 ATOM 5834 OW SOL 1421 4.240 32.170 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5839 ATOM 5835 HW1 SOL 1421 4.290 31.940 20.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5840 ATOM 5836 HW2 SOL 1421 3.620 31.540 22.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5841 ATOM 5837 OW SOL 1422 2.590 28.250 35.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5842 ATOM 5838 HW1 SOL 1422 1.710 28.620 35.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5843 ATOM 5839 HW2 SOL 1422 3.330 28.750 35.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5844 ATOM 5840 OW SOL 1423 7.030 19.830 33.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5845 ATOM 5841 HW1 SOL 1423 7.770 19.410 32.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5846 ATOM 5842 HW2 SOL 1423 7.400 20.610 33.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5847 ATOM 5843 OW SOL 1424 71.680 22.660 18.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5848 ATOM 5844 HW1 SOL 1424 70.940 23.310 18.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5849 ATOM 5845 HW2 SOL 1424 71.760 22.470 19.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5850 ATOM 5846 OW SOL 1425 14.570 27.020 32.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5851 ATOM 5847 HW1 SOL 1425 15.260 27.510 31.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5852 ATOM 5848 HW2 SOL 1425 14.480 26.090 32.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5853 ATOM 5849 OW SOL 1426 0.690 19.560 20.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5854 ATOM 5850 HW1 SOL 1426 0.620 19.630 19.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5855 ATOM 5851 HW2 SOL 1426 1.660 19.540 20.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5856 ATOM 5852 OW SOL 1427 12.060 31.160 19.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5857 ATOM 5853 HW1 SOL 1427 12.060 30.260 19.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5858 ATOM 5854 HW2 SOL 1427 11.690 31.090 20.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5859 ATOM 5855 OW SOL 1428 7.940 26.900 31.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5860 ATOM 5856 HW1 SOL 1428 7.890 27.820 32.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5861 ATOM 5857 HW2 SOL 1428 7.580 26.250 32.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5862 ATOM 5858 OW SOL 1429 14.890 36.230 28.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5863 ATOM 5859 HW1 SOL 1429 15.430 37.080 28.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5864 ATOM 5860 HW2 SOL 1429 15.480 35.480 28.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5865 ATOM 5861 OW SOL 1430 5.630 24.910 35.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5866 ATOM 5862 HW1 SOL 1430 5.710 24.240 36.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5867 ATOM 5863 HW2 SOL 1430 6.340 24.750 34.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5868 ATOM 5864 OW SOL 1431 16.270 31.140 34.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5869 ATOM 5865 HW1 SOL 1431 16.630 32.040 34.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5870 ATOM 5866 HW2 SOL 1431 16.750 30.430 34.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5871 ATOM 5867 OW SOL 1432 2.850 37.440 33.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5872 ATOM 5868 HW1 SOL 1432 2.140 37.820 33.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5873 ATOM 5869 HW2 SOL 1432 3.330 36.700 33.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5874 ATOM 5870 OW SOL 1433 16.320 28.300 30.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5875 ATOM 5871 HW1 SOL 1433 16.950 27.540 30.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5876 ATOM 5872 HW2 SOL 1433 16.430 29.000 29.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5877 ATOM 5873 OW SOL 1434 13.630 24.040 24.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5878 ATOM 5874 HW1 SOL 1434 13.420 23.210 23.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5879 ATOM 5875 HW2 SOL 1434 12.780 24.450 24.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5880 ATOM 5876 OW SOL 1435 7.890 25.520 25.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5881 ATOM 5877 HW1 SOL 1435 7.920 25.910 26.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5882 ATOM 5878 HW2 SOL 1435 7.030 25.770 24.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5883 ATOM 5879 OW SOL 1436 16.250 20.770 34.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5884 ATOM 5880 HW1 SOL 1436 16.000 20.680 33.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5885 ATOM 5881 HW2 SOL 1436 17.060 20.210 35.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5886 ATOM 5882 OW SOL 1437 17.420 29.300 33.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5887 ATOM 5883 HW1 SOL 1437 18.320 29.620 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5888 ATOM 5884 HW2 SOL 1437 16.880 29.010 32.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5889 ATOM 5885 OW SOL 1438 8.960 31.310 19.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5890 ATOM 5886 HW1 SOL 1438 9.450 30.860 20.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5891 ATOM 5887 HW2 SOL 1438 9.570 31.950 18.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5892 ATOM 5888 OW SOL 1439 8.230 35.530 28.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5893 ATOM 5889 HW1 SOL 1439 7.600 36.130 28.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5894 ATOM 5890 HW2 SOL 1439 8.880 35.130 28.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5895 ATOM 5891 OW SOL 1440 8.140 26.700 27.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5896 ATOM 5892 HW1 SOL 1440 8.680 26.240 28.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5897 ATOM 5893 HW2 SOL 1440 7.900 27.620 27.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5898 ATOM 5894 OW SOL 1441 12.360 28.790 18.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5899 ATOM 5895 HW1 SOL 1441 11.960 28.570 17.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5900 ATOM 5896 HW2 SOL 1441 13.100 28.150 19.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5901 ATOM 5897 OW SOL 1442 18.900 34.540 26.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5902 ATOM 5898 HW1 SOL 1442 18.150 34.120 26.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5903 ATOM 5899 HW2 SOL 1442 18.750 34.390 27.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5904 ATOM 5900 OW SOL 1443 3.910 32.190 40.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5905 ATOM 5901 HW1 SOL 1443 3.710 31.420 39.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5906 ATOM 5902 HW2 SOL 1443 3.350 32.130 41.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5907 ATOM 5903 OW SOL 1444 2.450 30.280 25.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5908 ATOM 5904 HW1 SOL 1444 2.810 30.500 26.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5909 ATOM 5905 HW2 SOL 1444 2.370 29.290 25.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5910 ATOM 5906 OW SOL 1445 7.270 29.190 35.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5911 ATOM 5907 HW1 SOL 1445 6.420 28.870 34.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5912 ATOM 5908 HW2 SOL 1445 7.080 29.970 35.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5913 ATOM 5909 OW SOL 1446 16.380 21.010 31.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5914 ATOM 5910 HW1 SOL 1446 16.180 21.990 31.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5915 ATOM 5911 HW2 SOL 1446 16.420 20.590 30.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5916 ATOM 5912 OW SOL 1447 3.480 21.960 22.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5917 ATOM 5913 HW1 SOL 1447 4.220 21.940 22.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5918 ATOM 5914 HW2 SOL 1447 2.820 22.670 22.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5919 ATOM 5915 OW SOL 1448 18.190 34.410 29.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5920 ATOM 5916 HW1 SOL 1448 17.250 34.120 29.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5921 ATOM 5917 HW2 SOL 1448 18.820 33.670 29.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5922 ATOM 5918 OW SOL 1449 3.620 23.810 30.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5923 ATOM 5919 HW1 SOL 1449 3.680 22.910 30.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5924 ATOM 5920 HW2 SOL 1449 3.730 23.700 29.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5925 ATOM 5921 OW SOL 1450 7.170 33.850 25.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5926 ATOM 5922 HW1 SOL 1450 6.990 34.690 25.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5927 ATOM 5923 HW2 SOL 1450 6.620 33.860 24.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5928 ATOM 5924 OW SOL 1451 14.290 20.120 28.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5929 ATOM 5925 HW1 SOL 1451 15.180 20.020 29.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5930 ATOM 5926 HW2 SOL 1451 13.600 20.370 29.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5931 ATOM 5927 OW SOL 1452 12.010 17.700 29.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5932 ATOM 5928 HW1 SOL 1452 11.500 16.870 29.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5933 ATOM 5929 HW2 SOL 1452 12.850 17.470 29.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5934 ATOM 5930 OW SOL 1453 10.280 30.980 22.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5935 ATOM 5931 HW1 SOL 1453 9.890 30.110 22.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5936 ATOM 5932 HW2 SOL 1453 10.580 31.500 22.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5937 ATOM 5933 OW SOL 1454 6.730 32.670 31.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5938 ATOM 5934 HW1 SOL 1454 6.640 33.220 32.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5939 ATOM 5935 HW2 SOL 1454 7.670 32.710 31.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5940 ATOM 5936 OW SOL 1455 13.370 19.980 20.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5941 ATOM 5937 HW1 SOL 1455 13.880 19.160 20.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5942 ATOM 5938 HW2 SOL 1455 12.450 19.720 20.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5943 ATOM 5939 OW SOL 1456 10.030 23.080 26.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5944 ATOM 5940 HW1 SOL 1456 10.270 23.970 25.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5945 ATOM 5941 HW2 SOL 1456 10.510 22.970 26.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5946 ATOM 5942 OW SOL 1457 15.420 21.850 27.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5947 ATOM 5943 HW1 SOL 1457 14.910 21.030 27.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5948 ATOM 5944 HW2 SOL 1457 14.910 22.660 27.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5949 ATOM 5945 OW SOL 1458 1.680 27.550 20.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5950 ATOM 5946 HW1 SOL 1458 2.510 27.960 20.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5951 ATOM 5947 HW2 SOL 1458 1.850 27.180 21.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5952 ATOM 5948 OW SOL 1459 9.810 35.220 23.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5953 ATOM 5949 HW1 SOL 1459 9.180 34.840 22.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5954 ATOM 5950 HW2 SOL 1459 9.300 35.610 24.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5955 ATOM 5951 OW SOL 1460 4.000 26.170 39.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5956 ATOM 5952 HW1 SOL 1460 4.190 26.230 38.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5957 ATOM 5953 HW2 SOL 1460 4.800 26.470 39.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5958 ATOM 5954 OW SOL 1461 0.460 20.520 44.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5959 ATOM 5955 HW1 SOL 1461 -0.480 20.560 45.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5960 ATOM 5956 HW2 SOL 1461 0.810 19.580 44.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5961 ATOM 5957 OW SOL 1462 69.940 21.280 42.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5962 ATOM 5958 HW1 SOL 1462 69.930 20.380 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5963 ATOM 5959 HW2 SOL 1462 70.600 21.870 42.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5964 ATOM 5960 OW SOL 1463 4.530 31.910 50.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5965 ATOM 5961 HW1 SOL 1463 4.120 31.610 49.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5966 ATOM 5962 HW2 SOL 1463 4.960 32.810 50.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5967 ATOM 5963 OW SOL 1464 15.080 36.010 44.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5968 ATOM 5964 HW1 SOL 1464 15.200 36.780 45.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5969 ATOM 5965 HW2 SOL 1464 14.110 35.840 44.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5970 ATOM 5966 OW SOL 1465 10.360 26.520 42.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5971 ATOM 5967 HW1 SOL 1465 10.450 27.500 42.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5972 ATOM 5968 HW2 SOL 1465 9.770 26.100 43.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5973 ATOM 5969 OW SOL 1466 14.690 25.240 38.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5974 ATOM 5970 HW1 SOL 1466 15.620 25.440 38.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5975 ATOM 5971 HW2 SOL 1466 14.440 24.310 38.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5976 ATOM 5972 OW SOL 1467 6.910 28.640 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5977 ATOM 5973 HW1 SOL 1467 7.730 29.150 47.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5978 ATOM 5974 HW2 SOL 1467 6.120 29.030 47.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5979 ATOM 5975 OW SOL 1468 11.080 26.290 53.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5980 ATOM 5976 HW1 SOL 1468 11.830 26.950 53.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5981 ATOM 5977 HW2 SOL 1468 10.570 26.430 54.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5982 ATOM 5978 OW SOL 1469 5.640 26.910 43.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5983 ATOM 5979 HW1 SOL 1469 6.550 27.220 43.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5984 ATOM 5980 HW2 SOL 1469 4.980 27.130 44.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5985 ATOM 5981 OW SOL 1470 7.920 29.600 55.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5986 ATOM 5982 HW1 SOL 1470 7.420 29.220 56.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5987 ATOM 5983 HW2 SOL 1470 7.300 30.150 55.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5988 ATOM 5984 OW SOL 1471 3.680 31.390 48.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5989 ATOM 5985 HW1 SOL 1471 2.730 31.090 48.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5990 ATOM 5986 HW2 SOL 1471 4.060 30.940 47.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5991 ATOM 5987 OW SOL 1472 14.900 33.380 48.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5992 ATOM 5988 HW1 SOL 1472 14.820 34.370 48.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5993 ATOM 5989 HW2 SOL 1472 14.030 32.970 48.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5994 ATOM 5990 OW SOL 1473 6.060 20.860 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5995 ATOM 5991 HW1 SOL 1473 6.890 20.370 52.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5996 ATOM 5992 HW2 SOL 1473 5.750 20.560 51.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5997 ATOM 5993 OW SOL 1474 15.680 24.730 44.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5998 ATOM 5994 HW1 SOL 1474 15.170 25.180 44.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
5999 ATOM 5995 HW2 SOL 1474 15.040 24.340 43.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6000 ATOM 5996 OW SOL 1475 3.250 34.850 44.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6001 ATOM 5997 HW1 SOL 1475 3.950 34.930 45.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6002 ATOM 5998 HW2 SOL 1475 3.600 35.260 43.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6003 ATOM 5999 OW SOL 1476 10.960 31.720 52.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6004 ATOM 6000 HW1 SOL 1476 11.850 31.580 52.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6005 ATOM 6001 HW2 SOL 1476 10.830 31.030 53.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6006 ATOM 6002 OW SOL 1477 1.890 32.610 44.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6007 ATOM 6003 HW1 SOL 1477 2.430 33.450 44.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6008 ATOM 6004 HW2 SOL 1477 1.200 32.680 45.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6009 ATOM 6005 OW SOL 1478 0.850 28.020 47.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6010 ATOM 6006 HW1 SOL 1478 1.320 28.050 46.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6011 ATOM 6007 HW2 SOL 1478 1.510 27.880 48.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6012 ATOM 6008 OW SOL 1479 6.000 36.900 52.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6013 ATOM 6009 HW1 SOL 1479 6.260 37.240 53.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6014 ATOM 6010 HW2 SOL 1479 6.400 37.490 51.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6015 ATOM 6011 OW SOL 1480 6.360 29.590 40.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6016 ATOM 6012 HW1 SOL 1480 5.700 30.330 40.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6017 ATOM 6013 HW2 SOL 1480 7.280 29.920 40.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6018 ATOM 6014 OW SOL 1481 15.040 19.380 49.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6019 ATOM 6015 HW1 SOL 1481 14.770 19.000 48.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6020 ATOM 6016 HW2 SOL 1481 14.220 19.570 50.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6021 ATOM 6017 OW SOL 1482 2.860 28.880 41.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6022 ATOM 6018 HW1 SOL 1482 3.440 28.070 41.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6023 ATOM 6019 HW2 SOL 1482 2.910 29.160 42.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6024 ATOM 6020 OW SOL 1483 2.930 34.650 39.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6025 ATOM 6021 HW1 SOL 1483 3.300 33.770 39.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6026 ATOM 6022 HW2 SOL 1483 3.050 35.320 40.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6027 ATOM 6023 OW SOL 1484 15.710 28.640 43.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6028 ATOM 6024 HW1 SOL 1484 16.350 28.170 42.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6029 ATOM 6025 HW2 SOL 1484 15.230 29.350 42.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6030 ATOM 6026 OW SOL 1485 14.810 30.850 42.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6031 ATOM 6027 HW1 SOL 1485 15.450 30.930 41.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6032 ATOM 6028 HW2 SOL 1485 15.260 31.160 43.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6033 ATOM 6029 OW SOL 1486 0.760 26.090 51.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6034 ATOM 6030 HW1 SOL 1486 0.530 26.610 52.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6035 ATOM 6031 HW2 SOL 1486 1.740 26.170 51.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6036 ATOM 6032 OW SOL 1487 5.090 29.910 46.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6037 ATOM 6033 HW1 SOL 1487 4.540 29.080 46.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6038 ATOM 6034 HW2 SOL 1487 5.110 30.400 45.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6039 ATOM 6035 OW SOL 1488 12.930 30.620 51.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6040 ATOM 6036 HW1 SOL 1488 12.910 29.650 50.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6041 ATOM 6037 HW2 SOL 1488 13.490 30.720 52.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6042 ATOM 6038 OW SOL 1489 7.250 19.560 42.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6043 ATOM 6039 HW1 SOL 1489 7.810 20.190 42.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6044 ATOM 6040 HW2 SOL 1489 6.280 19.730 42.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6045 ATOM 6041 OW SOL 1490 3.200 27.550 49.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6046 ATOM 6042 HW1 SOL 1490 3.290 26.560 49.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6047 ATOM 6043 HW2 SOL 1490 3.600 28.000 50.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6048 ATOM 6044 OW SOL 1491 12.980 30.070 39.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6049 ATOM 6045 HW1 SOL 1491 13.160 29.100 39.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6050 ATOM 6046 HW2 SOL 1491 13.460 30.620 39.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6051 ATOM 6047 OW SOL 1492 12.360 35.590 52.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6052 ATOM 6048 HW1 SOL 1492 13.150 35.280 52.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6053 ATOM 6049 HW2 SOL 1492 12.130 34.890 53.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6054 ATOM 6050 OW SOL 1493 2.640 21.430 56.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6055 ATOM 6051 HW1 SOL 1493 2.430 20.600 57.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6056 ATOM 6052 HW2 SOL 1493 1.800 21.950 56.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6057 ATOM 6053 OW SOL 1494 15.620 32.250 44.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6058 ATOM 6054 HW1 SOL 1494 14.640 32.480 44.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6059 ATOM 6055 HW2 SOL 1494 15.880 31.960 45.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6060 ATOM 6056 OW SOL 1495 16.620 35.630 41.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6061 ATOM 6057 HW1 SOL 1495 16.230 34.900 41.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6062 ATOM 6058 HW2 SOL 1495 16.330 35.510 42.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6063 ATOM 6059 OW SOL 1496 6.130 26.900 40.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6064 ATOM 6060 HW1 SOL 1496 6.060 27.850 40.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6065 ATOM 6061 HW2 SOL 1496 5.990 26.840 41.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6066 ATOM 6062 OW SOL 1497 12.440 24.200 45.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6067 ATOM 6063 HW1 SOL 1497 12.470 23.200 45.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6068 ATOM 6064 HW2 SOL 1497 11.640 24.550 46.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6069 ATOM 6065 OW SOL 1498 15.770 33.330 39.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6070 ATOM 6066 HW1 SOL 1498 14.890 33.440 39.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6071 ATOM 6067 HW2 SOL 1498 15.950 32.360 39.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6072 ATOM 6068 OW SOL 1499 9.010 24.440 50.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6073 ATOM 6069 HW1 SOL 1499 9.140 24.000 51.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6074 ATOM 6070 HW2 SOL 1499 8.760 23.750 50.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6075 ATOM 6071 OW SOL 1500 14.320 25.070 52.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6076 ATOM 6072 HW1 SOL 1500 13.540 24.740 53.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6077 ATOM 6073 HW2 SOL 1500 15.160 24.670 53.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6078 ATOM 6074 OW SOL 1501 8.510 27.700 52.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6079 ATOM 6075 HW1 SOL 1501 8.880 26.770 52.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6080 ATOM 6076 HW2 SOL 1501 8.040 27.830 51.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6081 ATOM 6077 OW SOL 1502 9.960 22.210 48.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6082 ATOM 6078 HW1 SOL 1502 9.070 22.340 48.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6083 ATOM 6079 HW2 SOL 1502 10.110 21.230 47.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6084 ATOM 6080 OW SOL 1503 10.930 25.390 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6085 ATOM 6081 HW1 SOL 1503 10.500 26.000 40.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6086 ATOM 6082 HW2 SOL 1503 10.690 25.660 39.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6087 ATOM 6083 OW SOL 1504 0.050 29.490 44.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6088 ATOM 6084 HW1 SOL 1504 0.670 28.780 44.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6089 ATOM 6085 HW2 SOL 1504 -0.430 29.880 45.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6090 ATOM 6086 OW SOL 1505 0.140 37.730 54.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6091 ATOM 6087 HW1 SOL 1505 0.700 38.210 54.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6092 ATOM 6088 HW2 SOL 1505 0.140 36.750 54.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6093 ATOM 6089 OW SOL 1506 8.480 22.700 39.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6094 ATOM 6090 HW1 SOL 1506 8.740 23.000 38.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6095 ATOM 6091 HW2 SOL 1506 8.400 21.700 39.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6096 ATOM 6092 OW SOL 1507 18.300 25.580 55.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6097 ATOM 6093 HW1 SOL 1507 18.060 26.490 54.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6098 ATOM 6094 HW2 SOL 1507 17.690 24.900 54.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6099 ATOM 6095 OW SOL 1508 12.090 31.150 41.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6100 ATOM 6096 HW1 SOL 1508 13.030 31.080 42.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6101 ATOM 6097 HW2 SOL 1508 11.880 32.100 41.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6102 ATOM 6098 OW SOL 1509 6.430 20.230 45.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6103 ATOM 6099 HW1 SOL 1509 5.560 20.620 44.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6104 ATOM 6100 HW2 SOL 1509 6.880 19.770 44.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6105 ATOM 6101 OW SOL 1510 9.830 35.830 42.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6106 ATOM 6102 HW1 SOL 1510 9.850 36.460 41.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6107 ATOM 6103 HW2 SOL 1510 8.880 35.630 42.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6108 ATOM 6104 OW SOL 1511 3.710 36.860 46.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6109 ATOM 6105 HW1 SOL 1511 3.970 36.010 47.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6110 ATOM 6106 HW2 SOL 1511 4.240 37.620 46.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6111 ATOM 6107 OW SOL 1512 16.700 27.440 45.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6112 ATOM 6108 HW1 SOL 1512 16.400 27.940 44.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6113 ATOM 6109 HW2 SOL 1512 15.900 27.010 45.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6114 ATOM 6110 OW SOL 1513 12.360 32.230 49.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6115 ATOM 6111 HW1 SOL 1513 12.410 31.650 50.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6116 ATOM 6112 HW2 SOL 1513 11.690 32.960 49.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6117 ATOM 6113 OW SOL 1514 2.800 30.140 38.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6118 ATOM 6114 HW1 SOL 1514 3.410 29.650 38.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6119 ATOM 6115 HW2 SOL 1514 2.360 29.470 39.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6120 ATOM 6116 OW SOL 1515 13.250 28.540 45.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6121 ATOM 6117 HW1 SOL 1515 13.410 27.640 45.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6122 ATOM 6118 HW2 SOL 1515 13.850 28.630 44.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6123 ATOM 6119 OW SOL 1516 4.860 29.280 56.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6124 ATOM 6120 HW1 SOL 1516 4.100 28.820 56.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6125 ATOM 6121 HW2 SOL 1516 4.940 28.940 57.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6126 ATOM 6122 OW SOL 1517 10.320 35.210 38.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6127 ATOM 6123 HW1 SOL 1517 9.540 35.630 39.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6128 ATOM 6124 HW2 SOL 1517 10.120 35.140 37.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6129 ATOM 6125 OW SOL 1518 1.140 19.980 53.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6130 ATOM 6126 HW1 SOL 1518 1.460 20.850 53.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6131 ATOM 6127 HW2 SOL 1518 0.140 19.970 53.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6132 ATOM 6128 OW SOL 1519 16.110 30.530 39.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6133 ATOM 6129 HW1 SOL 1519 15.260 30.060 39.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6134 ATOM 6130 HW2 SOL 1519 16.810 30.340 38.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6135 ATOM 6131 OW SOL 1520 4.130 36.020 42.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6136 ATOM 6132 HW1 SOL 1520 4.740 36.810 42.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6137 ATOM 6133 HW2 SOL 1520 4.670 35.190 41.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6138 ATOM 6134 OW SOL 1521 13.870 19.740 42.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6139 ATOM 6135 HW1 SOL 1521 13.760 19.700 41.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6140 ATOM 6136 HW2 SOL 1521 14.640 19.170 42.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6141 ATOM 6137 OW SOL 1522 2.000 35.760 49.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6142 ATOM 6138 HW1 SOL 1522 2.570 34.980 49.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6143 ATOM 6139 HW2 SOL 1522 1.690 36.230 48.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6144 ATOM 6140 OW SOL 1523 9.060 35.160 45.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6145 ATOM 6141 HW1 SOL 1523 9.490 35.330 44.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6146 ATOM 6142 HW2 SOL 1523 8.570 34.290 45.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6147 ATOM 6143 OW SOL 1524 2.320 25.430 41.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6148 ATOM 6144 HW1 SOL 1524 2.530 24.460 41.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6149 ATOM 6145 HW2 SOL 1524 2.840 25.770 40.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6150 ATOM 6146 OW SOL 1525 16.530 21.660 55.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6151 ATOM 6147 HW1 SOL 1525 16.240 21.910 56.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6152 ATOM 6148 HW2 SOL 1525 16.360 20.680 54.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6153 ATOM 6149 OW SOL 1526 7.850 20.230 38.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6154 ATOM 6150 HW1 SOL 1526 7.060 20.250 37.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6155 ATOM 6151 HW2 SOL 1526 8.570 19.670 38.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6156 ATOM 6152 OW SOL 1527 9.030 19.320 55.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6157 ATOM 6153 HW1 SOL 1527 9.820 18.710 55.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6158 ATOM 6154 HW2 SOL 1527 8.220 18.890 56.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6159 ATOM 6155 OW SOL 1528 7.900 32.990 49.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6160 ATOM 6156 HW1 SOL 1528 7.560 32.920 48.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6161 ATOM 6157 HW2 SOL 1528 8.230 32.100 49.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6162 ATOM 6158 OW SOL 1529 13.650 24.050 50.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6163 ATOM 6159 HW1 SOL 1529 13.810 24.760 51.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6164 ATOM 6160 HW2 SOL 1529 14.510 23.590 50.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6165 ATOM 6161 OW SOL 1530 6.560 32.250 46.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6166 ATOM 6162 HW1 SOL 1530 7.210 32.120 46.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6167 ATOM 6163 HW2 SOL 1530 5.730 31.730 46.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6168 ATOM 6164 OW SOL 1531 7.740 22.890 44.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6169 ATOM 6165 HW1 SOL 1531 6.770 22.910 43.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6170 ATOM 6166 HW2 SOL 1531 8.220 22.250 43.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6171 ATOM 6167 OW SOL 1532 4.670 19.780 42.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6172 ATOM 6168 HW1 SOL 1532 3.890 20.340 42.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6173 ATOM 6169 HW2 SOL 1532 4.330 18.910 41.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6174 ATOM 6170 OW SOL 1533 14.900 28.470 36.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6175 ATOM 6171 HW1 SOL 1533 14.400 27.900 37.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6176 ATOM 6172 HW2 SOL 1533 14.280 28.800 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6177 ATOM 6173 OW SOL 1534 2.070 19.180 39.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6178 ATOM 6174 HW1 SOL 1534 1.930 18.860 39.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6179 ATOM 6175 HW2 SOL 1534 2.530 18.460 40.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6180 ATOM 6176 OW SOL 1535 9.200 21.820 42.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6181 ATOM 6177 HW1 SOL 1535 9.320 22.390 41.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6182 ATOM 6178 HW2 SOL 1535 10.080 21.420 42.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6183 ATOM 6179 OW SOL 1536 11.450 25.560 50.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6184 ATOM 6180 HW1 SOL 1536 10.550 25.200 50.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6185 ATOM 6181 HW2 SOL 1536 12.150 24.890 50.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6186 ATOM 6182 OW SOL 1537 12.160 35.880 44.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6187 ATOM 6183 HW1 SOL 1537 11.970 36.810 44.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6188 ATOM 6184 HW2 SOL 1537 11.400 35.560 43.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6189 ATOM 6185 OW SOL 1538 4.200 27.070 45.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6190 ATOM 6186 HW1 SOL 1538 4.220 26.120 46.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6191 ATOM 6187 HW2 SOL 1538 3.280 27.290 45.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6192 ATOM 6188 OW SOL 1539 11.190 38.220 44.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6193 ATOM 6189 HW1 SOL 1539 11.280 38.690 43.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6194 ATOM 6190 HW2 SOL 1539 10.450 38.650 45.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6195 ATOM 6191 OW SOL 1540 11.260 21.170 37.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6196 ATOM 6192 HW1 SOL 1540 10.640 21.840 36.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6197 ATOM 6193 HW2 SOL 1540 11.730 21.580 38.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6198 ATOM 6194 OW SOL 1541 72.450 25.050 48.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6199 ATOM 6195 HW1 SOL 1541 73.090 24.280 48.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6200 ATOM 6196 HW2 SOL 1541 72.700 25.610 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6201 ATOM 6197 OW SOL 1542 5.490 21.060 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6202 ATOM 6198 HW1 SOL 1542 5.750 20.340 49.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6203 ATOM 6199 HW2 SOL 1542 4.500 21.180 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6204 ATOM 6200 OW SOL 1543 4.890 24.460 43.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6205 ATOM 6201 HW1 SOL 1543 5.200 25.390 43.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6206 ATOM 6202 HW2 SOL 1543 4.260 24.160 43.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6207 ATOM 6203 OW SOL 1544 9.770 20.520 45.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6208 ATOM 6204 HW1 SOL 1544 9.180 21.120 45.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6209 ATOM 6205 HW2 SOL 1544 9.310 19.660 45.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6210 ATOM 6206 OW SOL 1545 13.660 30.020 47.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6211 ATOM 6207 HW1 SOL 1545 13.310 30.820 48.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6212 ATOM 6208 HW2 SOL 1545 13.050 29.790 47.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6213 ATOM 6209 OW SOL 1546 14.140 26.260 46.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6214 ATOM 6210 HW1 SOL 1546 13.480 25.560 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6215 ATOM 6211 HW2 SOL 1546 14.590 26.000 47.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6216 ATOM 6212 OW SOL 1547 17.180 26.320 42.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6217 ATOM 6213 HW1 SOL 1547 17.370 25.850 43.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6218 ATOM 6214 HW2 SOL 1547 16.220 26.190 42.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6219 ATOM 6215 OW SOL 1548 5.610 33.740 41.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6220 ATOM 6216 HW1 SOL 1548 5.200 32.940 41.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6221 ATOM 6217 HW2 SOL 1548 6.310 33.440 42.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6222 ATOM 6218 OW SOL 1549 17.670 33.230 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6223 ATOM 6219 HW1 SOL 1549 17.920 34.140 42.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6224 ATOM 6220 HW2 SOL 1549 17.270 32.690 43.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6225 ATOM 6221 OW SOL 1550 13.740 22.890 37.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6226 ATOM 6222 HW1 SOL 1550 12.980 23.020 38.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6227 ATOM 6223 HW2 SOL 1550 14.440 22.300 37.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6228 ATOM 6224 OW SOL 1551 6.000 22.460 41.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6229 ATOM 6225 HW1 SOL 1551 6.550 21.910 40.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6230 ATOM 6226 HW2 SOL 1551 6.510 23.280 41.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6231 ATOM 6227 OW SOL 1552 17.150 31.360 53.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6232 ATOM 6228 HW1 SOL 1552 16.970 30.380 53.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6233 ATOM 6229 HW2 SOL 1552 17.910 31.630 52.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6234 ATOM 6230 OW SOL 1553 8.910 30.600 50.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6235 ATOM 6231 HW1 SOL 1553 8.060 30.520 50.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6236 ATOM 6232 HW2 SOL 1553 9.640 30.910 50.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6237 ATOM 6233 OW SOL 1554 15.620 35.470 53.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6238 ATOM 6234 HW1 SOL 1554 15.470 35.460 52.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6239 ATOM 6235 HW2 SOL 1554 16.420 36.030 53.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6240 ATOM 6236 OW SOL 1555 10.920 31.890 46.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6241 ATOM 6237 HW1 SOL 1555 11.560 32.030 47.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6242 ATOM 6238 HW2 SOL 1555 10.390 31.060 46.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6243 ATOM 6239 OW SOL 1556 16.160 29.150 48.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6244 ATOM 6240 HW1 SOL 1556 16.560 29.940 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6245 ATOM 6241 HW2 SOL 1556 15.200 29.340 48.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6246 ATOM 6242 OW SOL 1557 10.420 18.700 50.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6247 ATOM 6243 HW1 SOL 1557 10.380 18.860 49.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6248 ATOM 6244 HW2 SOL 1557 11.190 19.210 51.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6249 ATOM 6245 OW SOL 1558 10.130 29.870 54.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6250 ATOM 6246 HW1 SOL 1558 9.230 29.730 54.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6251 ATOM 6247 HW2 SOL 1558 10.350 29.090 53.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6252 ATOM 6248 OW SOL 1559 9.310 29.890 40.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6253 ATOM 6249 HW1 SOL 1559 10.040 30.000 41.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6254 ATOM 6250 HW2 SOL 1559 9.710 29.760 39.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6255 ATOM 6251 OW SOL 1560 3.610 24.870 49.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6256 ATOM 6252 HW1 SOL 1560 4.080 24.390 50.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6257 ATOM 6253 HW2 SOL 1560 2.920 24.260 49.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6258 ATOM 6254 OW SOL 1561 12.540 21.920 49.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6259 ATOM 6255 HW1 SOL 1561 12.630 22.700 50.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6260 ATOM 6256 HW2 SOL 1561 11.720 22.030 48.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6261 ATOM 6257 OW SOL 1562 0.400 33.800 52.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6262 ATOM 6258 HW1 SOL 1562 1.120 34.050 52.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6263 ATOM 6259 HW2 SOL 1562 0.000 34.630 51.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6264 ATOM 6260 OW SOL 1563 2.990 29.840 44.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6265 ATOM 6261 HW1 SOL 1563 3.660 30.500 43.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6266 ATOM 6262 HW2 SOL 1563 2.170 30.330 44.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6267 ATOM 6263 OW SOL 1564 4.400 22.110 45.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6268 ATOM 6264 HW1 SOL 1564 4.360 22.820 44.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6269 ATOM 6265 HW2 SOL 1564 5.100 22.340 45.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6270 ATOM 6266 OW SOL 1565 10.230 33.380 41.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6271 ATOM 6267 HW1 SOL 1565 9.820 33.470 40.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6272 ATOM 6268 HW2 SOL 1565 10.480 34.290 41.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6273 ATOM 6269 OW SOL 1566 12.930 32.990 44.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6274 ATOM 6270 HW1 SOL 1566 12.640 33.880 44.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6275 ATOM 6271 HW2 SOL 1566 12.290 32.670 45.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6276 ATOM 6272 OW SOL 1567 14.990 24.990 41.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6277 ATOM 6273 HW1 SOL 1567 14.670 25.070 40.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6278 ATOM 6274 HW2 SOL 1567 14.210 24.760 41.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6279 ATOM 6275 OW SOL 1568 4.130 34.360 48.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6280 ATOM 6276 HW1 SOL 1568 3.850 33.410 48.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6281 ATOM 6277 HW2 SOL 1568 4.750 34.580 48.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6282 ATOM 6278 OW SOL 1569 5.030 23.350 52.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6283 ATOM 6279 HW1 SOL 1569 5.710 24.070 51.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6284 ATOM 6280 HW2 SOL 1569 5.430 22.460 51.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6285 ATOM 6281 OW SOL 1570 17.470 28.300 54.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6286 ATOM 6282 HW1 SOL 1570 16.900 28.180 55.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6287 ATOM 6283 HW2 SOL 1570 16.910 28.180 53.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6288 ATOM 6284 OW SOL 1571 11.750 17.950 55.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6289 ATOM 6285 HW1 SOL 1571 12.310 18.750 54.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6290 ATOM 6286 HW2 SOL 1571 12.290 17.120 54.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6291 ATOM 6287 OW SOL 1572 4.630 20.450 54.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6292 ATOM 6288 HW1 SOL 1572 5.110 21.220 54.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6293 ATOM 6289 HW2 SOL 1572 3.890 20.790 55.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6294 ATOM 6290 OW SOL 1573 5.850 25.430 47.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6295 ATOM 6291 HW1 SOL 1573 5.860 26.410 47.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6296 ATOM 6292 HW2 SOL 1573 5.200 24.990 48.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6297 ATOM 6293 OW SOL 1574 11.100 27.360 48.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6298 ATOM 6294 HW1 SOL 1574 10.980 26.920 49.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6299 ATOM 6295 HW2 SOL 1574 12.080 27.450 48.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6300 ATOM 6296 OW SOL 1575 12.020 22.930 39.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6301 ATOM 6297 HW1 SOL 1575 12.050 22.340 40.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6302 ATOM 6298 HW2 SOL 1575 11.600 23.800 39.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6303 ATOM 6299 OW SOL 1576 2.700 21.080 50.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6304 ATOM 6300 HW1 SOL 1576 2.810 20.100 50.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6305 ATOM 6301 HW2 SOL 1576 2.670 21.250 51.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6306 ATOM 6302 OW SOL 1577 0.020 31.700 50.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6307 ATOM 6303 HW1 SOL 1577 0.430 32.570 50.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6308 ATOM 6304 HW2 SOL 1577 0.010 31.090 51.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6309 ATOM 6305 OW SOL 1578 6.870 23.120 46.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6310 ATOM 6306 HW1 SOL 1578 7.250 23.210 45.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6311 ATOM 6307 HW2 SOL 1578 6.340 23.940 46.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6312 ATOM 6308 OW SOL 1579 18.860 29.980 56.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6313 ATOM 6309 HW1 SOL 1579 18.510 29.410 55.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6314 ATOM 6310 HW2 SOL 1579 19.110 29.400 57.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6315 ATOM 6311 OW SOL 1580 1.780 15.860 43.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6316 ATOM 6312 HW1 SOL 1580 2.290 15.190 43.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6317 ATOM 6313 HW2 SOL 1580 1.540 16.640 44.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6318 ATOM 6314 OW SOL 1581 16.950 22.760 40.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6319 ATOM 6315 HW1 SOL 1581 17.050 22.260 41.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6320 ATOM 6316 HW2 SOL 1581 16.540 23.650 41.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6321 ATOM 6317 OW SOL 1582 9.300 25.210 44.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6322 ATOM 6318 HW1 SOL 1582 9.640 25.070 45.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6323 ATOM 6319 HW2 SOL 1582 8.910 24.350 44.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6324 ATOM 6320 OW SOL 1583 9.650 34.020 52.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6325 ATOM 6321 HW1 SOL 1583 10.180 34.580 51.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6326 ATOM 6322 HW2 SOL 1583 10.040 33.100 52.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6327 ATOM 6323 OW SOL 1584 18.140 36.130 53.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6328 ATOM 6324 HW1 SOL 1584 18.520 35.970 52.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6329 ATOM 6325 HW2 SOL 1584 18.560 35.500 54.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6330 ATOM 6326 OW SOL 1585 5.280 26.620 53.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6331 ATOM 6327 HW1 SOL 1585 5.310 26.050 52.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6332 ATOM 6328 HW2 SOL 1585 5.980 27.330 53.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6333 ATOM 6329 OW SOL 1586 15.300 21.650 39.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6334 ATOM 6330 HW1 SOL 1586 14.720 20.890 39.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6335 ATOM 6331 HW2 SOL 1586 15.780 22.040 39.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6336 ATOM 6332 OW SOL 1587 12.720 26.560 36.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6337 ATOM 6333 HW1 SOL 1587 13.380 25.810 36.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6338 ATOM 6334 HW2 SOL 1587 12.690 26.940 35.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6339 ATOM 6335 OW SOL 1588 8.640 31.690 45.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6340 ATOM 6336 HW1 SOL 1588 8.630 30.880 44.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6341 ATOM 6337 HW2 SOL 1588 9.470 31.690 45.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6342 ATOM 6338 OW SOL 1589 1.640 27.250 45.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6343 ATOM 6339 HW1 SOL 1589 1.320 27.280 44.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6344 ATOM 6340 HW2 SOL 1589 1.200 26.490 45.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6345 ATOM 6341 OW SOL 1590 1.970 22.250 46.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6346 ATOM 6342 HW1 SOL 1590 1.370 21.700 45.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6347 ATOM 6343 HW2 SOL 1590 2.920 22.070 45.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6348 ATOM 6344 OW SOL 1591 13.970 21.710 53.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6349 ATOM 6345 HW1 SOL 1591 13.500 22.570 53.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6350 ATOM 6346 HW2 SOL 1591 14.820 21.890 52.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6351 ATOM 6347 OW SOL 1592 12.590 20.030 51.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6352 ATOM 6348 HW1 SOL 1592 13.090 20.170 52.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6353 ATOM 6349 HW2 SOL 1592 12.760 20.790 50.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6354 ATOM 6350 OW SOL 1593 72.090 33.830 41.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6355 ATOM 6351 HW1 SOL 1593 71.510 33.120 40.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6356 ATOM 6352 HW2 SOL 1593 71.560 34.380 41.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6357 ATOM 6353 OW SOL 1594 0.910 36.590 46.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6358 ATOM 6354 HW1 SOL 1594 0.260 36.110 46.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6359 ATOM 6355 HW2 SOL 1594 1.820 36.570 46.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6360 ATOM 6356 OW SOL 1595 5.880 34.490 45.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6361 ATOM 6357 HW1 SOL 1595 6.020 35.250 46.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6362 ATOM 6358 HW2 SOL 1595 5.940 33.620 46.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6363 ATOM 6359 OW SOL 1596 10.420 24.890 47.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6364 ATOM 6360 HW1 SOL 1596 10.430 23.980 47.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6365 ATOM 6361 HW2 SOL 1596 10.900 25.540 47.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6366 ATOM 6362 OW SOL 1597 0.540 24.900 46.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6367 ATOM 6363 HW1 SOL 1597 0.890 23.970 46.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6368 ATOM 6364 HW2 SOL 1597 0.400 25.080 47.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6369 ATOM 6365 OW SOL 1598 2.220 22.360 52.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6370 ATOM 6366 HW1 SOL 1598 3.130 22.780 52.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6371 ATOM 6367 HW2 SOL 1598 1.530 23.040 53.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6372 ATOM 6368 OW SOL 1599 13.100 28.580 53.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6373 ATOM 6369 HW1 SOL 1599 13.740 29.300 53.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6374 ATOM 6370 HW2 SOL 1599 13.170 28.370 52.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6375 ATOM 6371 OW SOL 1600 7.180 25.020 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6376 ATOM 6372 HW1 SOL 1600 7.630 24.180 39.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6377 ATOM 6373 HW2 SOL 1600 6.900 25.560 40.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6378 ATOM 6374 OW SOL 1601 15.760 25.070 48.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6379 ATOM 6375 HW1 SOL 1601 15.360 24.180 48.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6380 ATOM 6376 HW2 SOL 1601 16.710 24.940 48.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6381 ATOM 6377 OW SOL 1602 2.370 33.950 53.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6382 ATOM 6378 HW1 SOL 1602 1.790 34.520 54.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6383 ATOM 6379 HW2 SOL 1602 3.290 34.340 53.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6384 ATOM 6380 OW SOL 1603 7.470 22.630 49.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6385 ATOM 6381 HW1 SOL 1603 6.680 22.070 49.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6386 ATOM 6382 HW2 SOL 1603 7.310 23.130 48.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6387 ATOM 6383 OW SOL 1604 10.320 34.340 49.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6388 ATOM 6384 HW1 SOL 1604 9.380 34.010 49.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6389 ATOM 6385 HW2 SOL 1604 10.450 35.070 48.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6390 ATOM 6386 OW SOL 1605 2.910 23.920 37.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6391 ATOM 6387 HW1 SOL 1605 2.690 24.230 37.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6392 ATOM 6388 HW2 SOL 1605 2.820 24.690 38.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6393 ATOM 6389 OW SOL 1606 2.830 28.690 52.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6394 ATOM 6390 HW1 SOL 1606 3.620 28.490 53.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6395 ATOM 6391 HW2 SOL 1606 2.750 29.680 52.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6396 ATOM 6392 OW SOL 1607 9.520 29.750 47.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6397 ATOM 6393 HW1 SOL 1607 9.960 28.860 47.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6398 ATOM 6394 HW2 SOL 1607 9.340 30.130 48.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6399 ATOM 6395 OW SOL 1608 13.590 27.450 39.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6400 ATOM 6396 HW1 SOL 1608 13.550 27.190 40.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6401 ATOM 6397 HW2 SOL 1608 13.790 26.650 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6402 ATOM 6398 OW SOL 1609 17.740 35.240 48.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6403 ATOM 6399 HW1 SOL 1609 18.640 35.300 49.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6404 ATOM 6400 HW2 SOL 1609 17.660 34.390 48.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6405 ATOM 6401 OW SOL 1610 13.010 36.690 47.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6406 ATOM 6402 HW1 SOL 1610 13.890 36.480 47.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6407 ATOM 6403 HW2 SOL 1610 13.060 37.580 46.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6408 ATOM 6404 OW SOL 1611 1.250 30.840 48.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6409 ATOM 6405 HW1 SOL 1611 1.040 30.970 49.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6410 ATOM 6406 HW2 SOL 1611 1.190 29.860 48.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6411 ATOM 6407 OW SOL 1612 7.080 34.320 53.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6412 ATOM 6408 HW1 SOL 1612 6.690 35.100 52.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6413 ATOM 6409 HW2 SOL 1612 8.030 34.190 53.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6414 ATOM 6410 OW SOL 1613 17.730 21.210 42.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6415 ATOM 6411 HW1 SOL 1613 18.730 21.140 42.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6416 ATOM 6412 HW2 SOL 1613 17.370 20.320 43.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6417 ATOM 6413 OW SOL 1614 13.210 33.700 40.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6418 ATOM 6414 HW1 SOL 1614 12.580 33.260 39.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6419 ATOM 6415 HW2 SOL 1614 13.050 34.680 40.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6420 ATOM 6416 OW SOL 1615 0.430 35.470 55.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6421 ATOM 6417 HW1 SOL 1615 -0.320 34.830 55.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6422 ATOM 6418 HW2 SOL 1615 0.370 36.200 56.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6423 ATOM 6419 OW SOL 1616 11.080 29.050 43.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6424 ATOM 6420 HW1 SOL 1616 11.570 28.870 44.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6425 ATOM 6421 HW2 SOL 1616 11.490 29.830 42.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6426 ATOM 6422 OW SOL 1617 6.740 30.540 51.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6427 ATOM 6423 HW1 SOL 1617 7.070 30.870 52.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6428 ATOM 6424 HW2 SOL 1617 6.080 31.190 51.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6429 ATOM 6425 OW SOL 1618 5.940 35.650 39.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6430 ATOM 6426 HW1 SOL 1618 5.800 35.280 38.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6431 ATOM 6427 HW2 SOL 1618 5.780 34.930 40.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6432 ATOM 6428 OW SOL 1619 15.670 35.740 50.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6433 ATOM 6429 HW1 SOL 1619 16.340 35.310 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6434 ATOM 6430 HW2 SOL 1619 15.510 36.680 50.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6435 ATOM 6431 OW SOL 1620 17.800 21.600 46.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6436 ATOM 6432 HW1 SOL 1620 17.000 21.660 46.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6437 ATOM 6433 HW2 SOL 1620 17.950 22.480 47.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6438 ATOM 6434 OW SOL 1621 1.940 20.740 42.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6439 ATOM 6435 HW1 SOL 1621 1.680 20.190 41.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6440 ATOM 6436 HW2 SOL 1621 1.400 20.470 43.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6441 ATOM 6437 OW SOL 1622 9.860 35.190 36.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6442 ATOM 6438 HW1 SOL 1622 9.250 34.550 35.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6443 ATOM 6439 HW2 SOL 1622 10.810 35.010 35.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6444 ATOM 6440 OW SOL 1623 6.320 28.190 50.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6445 ATOM 6441 HW1 SOL 1623 6.580 28.400 49.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6446 ATOM 6442 HW2 SOL 1623 6.460 29.000 51.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6447 ATOM 6443 OW SOL 1624 10.430 29.780 38.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6448 ATOM 6444 HW1 SOL 1624 10.350 29.070 37.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6449 ATOM 6445 HW2 SOL 1624 11.390 29.910 38.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6450 ATOM 6446 OW SOL 1625 13.650 33.970 37.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6451 ATOM 6447 HW1 SOL 1625 13.700 34.890 37.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6452 ATOM 6448 HW2 SOL 1625 14.260 33.930 36.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6453 ATOM 6449 OW SOL 1626 2.410 31.470 52.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6454 ATOM 6450 HW1 SOL 1626 2.350 32.170 53.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6455 ATOM 6451 HW2 SOL 1626 3.260 31.610 51.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6456 ATOM 6452 OW SOL 1627 17.050 31.200 49.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6457 ATOM 6453 HW1 SOL 1627 17.810 31.760 50.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6458 ATOM 6454 HW2 SOL 1627 16.270 31.790 49.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6459 ATOM 6455 OW SOL 1628 8.150 29.480 43.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6460 ATOM 6456 HW1 SOL 1628 7.920 28.840 44.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6461 ATOM 6457 HW2 SOL 1628 9.020 29.210 43.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6462 ATOM 6458 OW SOL 1629 12.530 21.620 45.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6463 ATOM 6459 HW1 SOL 1629 11.700 21.470 45.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6464 ATOM 6460 HW2 SOL 1629 12.490 21.060 46.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6465 ATOM 6461 OW SOL 1630 5.090 31.840 44.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6466 ATOM 6462 HW1 SOL 1630 5.700 31.850 43.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6467 ATOM 6463 HW2 SOL 1630 4.880 32.780 44.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6468 ATOM 6464 OW SOL 1631 16.280 22.930 50.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6469 ATOM 6465 HW1 SOL 1631 16.840 23.720 50.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6470 ATOM 6466 HW2 SOL 1631 16.710 22.100 50.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6471 ATOM 6467 OW SOL 1632 2.010 32.770 42.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6472 ATOM 6468 HW1 SOL 1632 1.140 33.130 41.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6473 ATOM 6469 HW2 SOL 1632 2.010 32.790 43.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6474 ATOM 6470 OW SOL 1633 2.680 27.940 56.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6475 ATOM 6471 HW1 SOL 1633 1.890 28.440 55.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6476 ATOM 6472 HW2 SOL 1633 2.490 26.960 56.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6477 ATOM 6473 OW SOL 1634 8.220 19.190 52.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6478 ATOM 6474 HW1 SOL 1634 9.060 19.060 52.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6479 ATOM 6475 HW2 SOL 1634 8.400 19.010 53.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6480 ATOM 6476 OW SOL 1635 0.260 22.030 36.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6481 ATOM 6477 HW1 SOL 1635 0.750 22.040 37.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6482 ATOM 6478 HW2 SOL 1635 -0.590 22.550 37.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6483 ATOM 6479 OW SOL 1636 13.190 27.980 51.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6484 ATOM 6480 HW1 SOL 1636 12.500 27.260 51.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6485 ATOM 6481 HW2 SOL 1636 14.030 27.670 50.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6486 ATOM 6482 OW SOL 1637 1.420 22.130 39.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6487 ATOM 6483 HW1 SOL 1637 2.230 22.520 38.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6488 ATOM 6484 HW2 SOL 1637 1.630 21.230 39.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6489 ATOM 6485 OW SOL 1638 12.470 31.540 36.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6490 ATOM 6486 HW1 SOL 1638 12.790 30.910 37.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6491 ATOM 6487 HW2 SOL 1638 13.000 32.390 36.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6492 ATOM 6488 OW SOL 1639 6.180 25.550 50.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6493 ATOM 6489 HW1 SOL 1639 6.260 26.530 50.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6494 ATOM 6490 HW2 SOL 1639 7.020 25.080 50.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6495 ATOM 6491 OW SOL 1640 15.520 36.590 47.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6496 ATOM 6492 HW1 SOL 1640 15.440 37.390 48.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6497 ATOM 6493 HW2 SOL 1640 16.440 36.210 47.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6498 ATOM 6494 OW SOL 1641 8.630 23.240 53.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6499 ATOM 6495 HW1 SOL 1641 8.950 23.220 54.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6500 ATOM 6496 HW2 SOL 1641 7.940 22.530 53.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6501 ATOM 6497 OW SOL 1642 14.470 31.180 53.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6502 ATOM 6498 HW1 SOL 1642 14.260 31.500 54.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6503 ATOM 6499 HW2 SOL 1642 15.420 31.400 53.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6504 ATOM 6500 OW SOL 1643 3.120 37.720 51.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6505 ATOM 6501 HW1 SOL 1643 2.760 37.130 50.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6506 ATOM 6502 HW2 SOL 1643 2.610 37.540 51.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6507 ATOM 6503 OW SOL 1644 15.360 27.160 49.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6508 ATOM 6504 HW1 SOL 1644 15.500 26.290 49.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6509 ATOM 6505 HW2 SOL 1644 15.620 27.910 49.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6510 ATOM 6506 OW SOL 1645 12.060 21.880 42.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6511 ATOM 6507 HW1 SOL 1645 12.860 21.290 42.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6512 ATOM 6508 HW2 SOL 1645 12.330 22.830 42.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6513 ATOM 6509 OW SOL 1646 0.320 26.170 43.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6514 ATOM 6510 HW1 SOL 1646 -0.470 25.580 42.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6515 ATOM 6511 HW2 SOL 1646 1.010 25.920 42.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6516 ATOM 6512 OW SOL 1647 16.530 23.950 53.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6517 ATOM 6513 HW1 SOL 1647 16.710 23.930 52.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6518 ATOM 6514 HW2 SOL 1647 16.570 23.020 54.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6519 ATOM 6515 OW SOL 1648 15.890 27.360 52.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6520 ATOM 6516 HW1 SOL 1648 15.140 26.700 52.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6521 ATOM 6517 HW2 SOL 1648 16.250 27.450 51.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6522 ATOM 6518 OW SOL 1649 8.230 31.910 38.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6523 ATOM 6519 HW1 SOL 1649 8.480 31.560 39.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6524 ATOM 6520 HW2 SOL 1649 8.960 31.680 37.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6525 ATOM 6521 OW SOL 1650 6.710 36.720 47.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6526 ATOM 6522 HW1 SOL 1650 6.110 37.510 47.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6527 ATOM 6523 HW2 SOL 1650 7.520 37.000 46.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6528 ATOM 6524 OW SOL 1651 7.640 27.240 45.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6529 ATOM 6525 HW1 SOL 1651 8.320 26.510 44.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6530 ATOM 6526 HW2 SOL 1651 7.110 27.150 45.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6531 ATOM 6527 OW SOL 1652 10.420 25.650 37.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6532 ATOM 6528 HW1 SOL 1652 9.890 26.410 37.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6533 ATOM 6529 HW2 SOL 1652 11.390 25.840 37.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6534 ATOM 6530 OW SOL 1653 17.510 34.930 45.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6535 ATOM 6531 HW1 SOL 1653 16.540 35.040 45.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6536 ATOM 6532 HW2 SOL 1653 17.620 34.340 46.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6537 ATOM 6533 OW SOL 1654 2.070 31.500 56.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6538 ATOM 6534 HW1 SOL 1654 3.060 31.440 56.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6539 ATOM 6535 HW2 SOL 1654 1.700 31.390 57.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6540 ATOM 6536 OW SOL 1655 72.540 32.410 46.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6541 ATOM 6537 HW1 SOL 1655 71.810 31.740 46.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6542 ATOM 6538 HW2 SOL 1655 73.230 32.020 47.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6543 ATOM 6539 OW SOL 1656 6.680 31.470 54.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6544 ATOM 6540 HW1 SOL 1656 5.920 31.490 55.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6545 ATOM 6541 HW2 SOL 1656 7.010 32.400 54.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6546 ATOM 6542 OW SOL 1657 17.250 20.850 49.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6547 ATOM 6543 HW1 SOL 1657 16.430 20.300 49.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6548 ATOM 6544 HW2 SOL 1657 17.520 20.830 48.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6549 ATOM 6545 OW SOL 1658 3.370 22.950 41.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6550 ATOM 6546 HW1 SOL 1658 4.200 22.610 41.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6551 ATOM 6547 HW2 SOL 1658 2.750 22.180 42.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6552 ATOM 6548 OW SOL 1659 17.390 32.970 47.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6553 ATOM 6549 HW1 SOL 1659 16.500 32.650 47.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6554 ATOM 6550 HW2 SOL 1659 17.930 32.190 46.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6555 ATOM 6551 OW SOL 1660 1.730 23.050 48.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6556 ATOM 6552 HW1 SOL 1660 2.000 22.310 49.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6557 ATOM 6553 HW2 SOL 1660 1.950 22.790 47.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6558 ATOM 6554 OW SOL 1661 7.190 35.320 43.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6559 ATOM 6555 HW1 SOL 1661 6.920 36.270 43.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6560 ATOM 6556 HW2 SOL 1661 6.770 35.020 44.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6561 ATOM 6557 OW SOL 1662 14.970 22.490 48.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6562 ATOM 6558 HW1 SOL 1662 15.550 21.730 48.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6563 ATOM 6559 HW2 SOL 1662 14.030 22.310 48.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6564 ATOM 6560 OW SOL 1663 10.180 19.390 48.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6565 ATOM 6561 HW1 SOL 1663 9.480 18.730 47.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6566 ATOM 6562 HW2 SOL 1663 11.080 19.090 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6567 ATOM 6563 OW SOL 1664 7.270 31.700 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6568 ATOM 6564 HW1 SOL 1664 7.430 30.720 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6569 ATOM 6565 HW2 SOL 1664 8.020 32.220 42.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6570 ATOM 6566 OW SOL 1665 5.770 34.210 50.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6571 ATOM 6567 HW1 SOL 1665 5.850 34.970 50.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6572 ATOM 6568 HW2 SOL 1665 6.680 33.970 49.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6573 ATOM 6569 OW SOL 1666 13.770 19.540 39.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6574 ATOM 6570 HW1 SOL 1666 14.170 19.390 38.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6575 ATOM 6571 HW2 SOL 1666 13.150 18.780 39.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6576 ATOM 6572 OW SOL 1667 12.810 25.040 43.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6577 ATOM 6573 HW1 SOL 1667 11.960 25.500 42.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6578 ATOM 6574 HW2 SOL 1667 12.780 24.790 43.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6579 ATOM 6575 OW SOL 1668 15.470 21.830 45.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6580 ATOM 6576 HW1 SOL 1668 15.520 22.330 46.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6581 ATOM 6577 HW2 SOL 1668 14.530 21.510 45.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6582 ATOM 6578 OW SOL 1669 0.250 29.150 37.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6583 ATOM 6579 HW1 SOL 1669 0.470 28.940 38.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6584 ATOM 6580 HW2 SOL 1669 -0.590 28.680 36.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6585 ATOM 6581 OW SOL 1670 8.510 36.710 40.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6586 ATOM 6582 HW1 SOL 1670 7.610 36.360 39.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6587 ATOM 6583 HW2 SOL 1670 8.440 37.680 40.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6588 ATOM 6584 OW SOL 1671 72.490 24.380 53.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6589 ATOM 6585 HW1 SOL 1671 72.370 25.370 53.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6590 ATOM 6586 HW2 SOL 1671 71.980 23.960 53.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6591 ATOM 6587 OW SOL 1672 1.650 21.760 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6592 ATOM 6588 HW1 SOL 1672 2.370 21.100 64.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6593 ATOM 6589 HW2 SOL 1672 0.830 21.260 64.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6594 ATOM 6590 OW SOL 1673 71.900 21.580 62.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6595 ATOM 6591 HW1 SOL 1673 71.700 20.600 62.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6596 ATOM 6592 HW2 SOL 1673 71.590 22.000 63.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6597 ATOM 6593 OW SOL 1674 5.360 30.920 66.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6598 ATOM 6594 HW1 SOL 1674 5.590 31.690 65.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6599 ATOM 6595 HW2 SOL 1674 5.530 31.180 67.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6600 ATOM 6596 OW SOL 1675 13.880 35.090 61.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6601 ATOM 6597 HW1 SOL 1675 13.880 34.710 62.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6602 ATOM 6598 HW2 SOL 1675 13.780 34.350 61.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6603 ATOM 6599 OW SOL 1676 12.580 26.520 60.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6604 ATOM 6600 HW1 SOL 1676 13.100 27.330 59.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6605 ATOM 6601 HW2 SOL 1676 12.340 26.610 61.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6606 ATOM 6602 OW SOL 1677 20.040 24.620 56.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6607 ATOM 6603 HW1 SOL 1677 19.450 24.800 56.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6608 ATOM 6604 HW2 SOL 1677 20.040 23.630 57.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6609 ATOM 6605 OW SOL 1678 7.690 29.380 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6610 ATOM 6606 HW1 SOL 1678 7.040 30.030 67.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6611 ATOM 6607 HW2 SOL 1678 8.160 28.890 66.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6612 ATOM 6608 OW SOL 1679 7.920 27.070 1.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6613 ATOM 6609 HW1 SOL 1679 8.020 26.780 0.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6614 ATOM 6610 HW2 SOL 1679 8.530 26.530 1.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6615 ATOM 6611 OW SOL 1680 6.010 27.550 63.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6616 ATOM 6612 HW1 SOL 1680 6.510 28.350 63.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6617 ATOM 6613 HW2 SOL 1680 5.300 27.840 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6618 ATOM 6614 OW SOL 1681 2.580 32.410 65.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6619 ATOM 6615 HW1 SOL 1681 1.850 31.770 65.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6620 ATOM 6616 HW2 SOL 1681 3.370 31.910 65.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6621 ATOM 6617 OW SOL 1682 12.190 32.220 69.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6622 ATOM 6618 HW1 SOL 1682 12.690 33.080 69.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6623 ATOM 6619 HW2 SOL 1682 11.360 32.270 70.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6624 ATOM 6620 OW SOL 1683 3.490 22.860 68.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6625 ATOM 6621 HW1 SOL 1683 3.760 22.180 69.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6626 ATOM 6622 HW2 SOL 1683 2.550 22.680 68.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6627 ATOM 6623 OW SOL 1684 15.560 23.280 62.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6628 ATOM 6624 HW1 SOL 1684 14.990 23.620 62.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6629 ATOM 6625 HW2 SOL 1684 15.360 23.780 63.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6630 ATOM 6626 OW SOL 1685 71.780 37.030 60.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6631 ATOM 6627 HW1 SOL 1685 72.650 36.860 60.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6632 ATOM 6628 HW2 SOL 1685 71.900 36.870 59.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6633 ATOM 6629 OW SOL 1686 0.500 33.760 59.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6634 ATOM 6630 HW1 SOL 1686 1.490 33.790 60.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6635 ATOM 6631 HW2 SOL 1686 0.080 33.540 60.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6636 ATOM 6632 OW SOL 1687 2.740 30.250 63.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6637 ATOM 6633 HW1 SOL 1687 2.970 29.680 64.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6638 ATOM 6634 HW2 SOL 1687 3.050 29.820 62.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6639 ATOM 6635 OW SOL 1688 5.380 35.340 72.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6640 ATOM 6636 HW1 SOL 1688 4.460 35.740 72.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6641 ATOM 6637 HW2 SOL 1688 6.020 36.000 71.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6642 ATOM 6638 OW SOL 1689 6.860 26.250 55.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6643 ATOM 6639 HW1 SOL 1689 6.050 26.290 55.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6644 ATOM 6640 HW2 SOL 1689 7.650 26.610 55.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6645 ATOM 6641 OW SOL 1690 17.450 21.030 71.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6646 ATOM 6642 HW1 SOL 1690 17.660 21.640 71.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6647 ATOM 6643 HW2 SOL 1690 16.600 21.320 72.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6648 ATOM 6644 OW SOL 1691 1.300 23.300 61.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6649 ATOM 6645 HW1 SOL 1691 0.680 22.610 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6650 ATOM 6646 HW2 SOL 1691 0.790 24.130 61.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6651 ATOM 6647 OW SOL 1692 18.070 36.990 57.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6652 ATOM 6648 HW1 SOL 1692 18.720 37.290 58.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6653 ATOM 6649 HW2 SOL 1692 18.150 37.560 56.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6654 ATOM 6650 OW SOL 1693 71.970 32.630 56.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6655 ATOM 6651 HW1 SOL 1693 72.840 32.180 56.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6656 ATOM 6652 HW2 SOL 1693 71.440 32.720 56.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6657 ATOM 6653 OW SOL 1694 17.230 30.880 62.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6658 ATOM 6654 HW1 SOL 1694 18.190 31.120 62.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6659 ATOM 6655 HW2 SOL 1694 16.660 31.640 62.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6660 ATOM 6656 OW SOL 1695 17.770 30.960 59.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6661 ATOM 6657 HW1 SOL 1695 18.440 30.210 59.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6662 ATOM 6658 HW2 SOL 1695 18.180 31.780 59.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6663 ATOM 6659 OW SOL 1696 0.940 24.780 71.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6664 ATOM 6660 HW1 SOL 1696 1.680 24.980 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6665 ATOM 6661 HW2 SOL 1696 0.090 25.190 71.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6666 ATOM 6662 OW SOL 1697 2.900 33.430 61.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6667 ATOM 6663 HW1 SOL 1697 2.450 33.740 62.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6668 ATOM 6664 HW2 SOL 1697 3.420 32.610 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6669 ATOM 6665 OW SOL 1698 12.900 28.380 67.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6670 ATOM 6666 HW1 SOL 1698 13.530 28.560 66.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6671 ATOM 6667 HW2 SOL 1698 13.190 28.880 67.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6672 ATOM 6668 OW SOL 1699 7.680 18.080 59.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6673 ATOM 6669 HW1 SOL 1699 7.850 19.020 59.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6674 ATOM 6670 HW2 SOL 1699 7.010 18.070 60.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6675 ATOM 6671 OW SOL 1700 2.280 26.700 69.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6676 ATOM 6672 HW1 SOL 1700 2.610 25.940 69.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6677 ATOM 6673 HW2 SOL 1700 2.990 27.000 68.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6678 ATOM 6674 OW SOL 1701 15.770 30.760 57.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6679 ATOM 6675 HW1 SOL 1701 16.000 29.810 57.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6680 ATOM 6676 HW2 SOL 1701 16.470 31.170 58.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6681 ATOM 6677 OW SOL 1702 13.650 36.120 69.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6682 ATOM 6678 HW1 SOL 1702 14.030 36.930 69.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6683 ATOM 6679 HW2 SOL 1702 13.570 36.260 70.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6684 ATOM 6680 OW SOL 1703 0.950 20.660 0.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6685 ATOM 6681 HW1 SOL 1703 0.030 21.070 0.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6686 ATOM 6682 HW2 SOL 1703 1.530 21.240 0.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6687 ATOM 6683 OW SOL 1704 13.360 33.740 64.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6688 ATOM 6684 HW1 SOL 1704 13.140 33.670 65.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6689 ATOM 6685 HW2 SOL 1704 13.210 32.850 63.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6690 ATOM 6686 OW SOL 1705 15.130 36.340 59.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6691 ATOM 6687 HW1 SOL 1705 15.840 35.770 58.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6692 ATOM 6688 HW2 SOL 1705 15.020 36.080 60.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6693 ATOM 6689 OW SOL 1706 7.140 27.360 58.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6694 ATOM 6690 HW1 SOL 1706 7.130 26.920 57.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6695 ATOM 6691 HW2 SOL 1706 6.210 27.390 58.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6696 ATOM 6692 OW SOL 1707 12.060 23.380 63.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6697 ATOM 6693 HW1 SOL 1707 12.220 23.460 64.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6698 ATOM 6694 HW2 SOL 1707 11.650 22.490 62.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6699 ATOM 6695 OW SOL 1708 16.480 34.750 57.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6700 ATOM 6696 HW1 SOL 1708 17.300 35.300 57.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6701 ATOM 6697 HW2 SOL 1708 16.480 34.310 56.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6702 ATOM 6698 OW SOL 1709 9.330 24.170 69.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6703 ATOM 6699 HW1 SOL 1709 8.900 24.010 70.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6704 ATOM 6700 HW2 SOL 1709 8.660 24.000 68.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6705 ATOM 6701 OW SOL 1710 8.670 26.370 71.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6706 ATOM 6702 HW1 SOL 1710 7.920 26.050 70.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6707 ATOM 6703 HW2 SOL 1710 8.970 27.270 70.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6708 ATOM 6704 OW SOL 1711 9.560 23.700 65.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6709 ATOM 6705 HW1 SOL 1711 9.020 24.500 65.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6710 ATOM 6706 HW2 SOL 1711 9.140 22.870 65.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6711 ATOM 6707 OW SOL 1712 10.970 24.880 58.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6712 ATOM 6708 HW1 SOL 1712 11.620 25.330 58.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6713 ATOM 6709 HW2 SOL 1712 10.070 24.850 58.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6714 ATOM 6710 OW SOL 1713 0.200 26.020 61.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6715 ATOM 6711 HW1 SOL 1713 0.880 26.390 62.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6716 ATOM 6712 HW2 SOL 1713 -0.520 25.560 62.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6717 ATOM 6713 OW SOL 1714 72.350 37.480 70.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6718 ATOM 6714 HW1 SOL 1714 72.630 37.330 71.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6719 ATOM 6715 HW2 SOL 1714 71.940 36.640 70.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6720 ATOM 6716 OW SOL 1715 8.900 22.020 55.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6721 ATOM 6717 HW1 SOL 1715 9.870 22.270 55.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6722 ATOM 6718 HW2 SOL 1715 8.790 21.050 55.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6723 ATOM 6719 OW SOL 1716 15.160 31.490 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6724 ATOM 6720 HW1 SOL 1716 15.990 31.030 60.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6725 ATOM 6721 HW2 SOL 1716 14.880 32.190 60.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6726 ATOM 6722 OW SOL 1717 3.750 20.210 64.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6727 ATOM 6723 HW1 SOL 1717 4.170 19.890 65.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6728 ATOM 6724 HW2 SOL 1717 4.460 20.340 63.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6729 ATOM 6725 OW SOL 1718 8.350 34.570 59.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6730 ATOM 6726 HW1 SOL 1718 7.810 35.110 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6731 ATOM 6727 HW2 SOL 1718 8.010 34.730 60.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6732 ATOM 6728 OW SOL 1719 2.650 35.150 65.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6733 ATOM 6729 HW1 SOL 1719 2.760 34.170 65.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6734 ATOM 6730 HW2 SOL 1719 3.520 35.540 65.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6735 ATOM 6731 OW SOL 1720 17.890 29.920 65.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6736 ATOM 6732 HW1 SOL 1720 17.570 30.280 64.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6737 ATOM 6733 HW2 SOL 1720 17.400 30.390 65.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6738 ATOM 6734 OW SOL 1721 9.960 32.340 71.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6739 ATOM 6735 HW1 SOL 1721 9.280 31.670 71.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6740 ATOM 6736 HW2 SOL 1721 9.520 33.210 70.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6741 ATOM 6737 OW SOL 1722 4.360 27.960 59.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6742 ATOM 6738 HW1 SOL 1722 3.700 28.630 59.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6743 ATOM 6739 HW2 SOL 1722 3.970 27.040 59.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6744 ATOM 6740 OW SOL 1723 15.700 28.560 61.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6745 ATOM 6741 HW1 SOL 1723 15.330 27.900 62.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6746 ATOM 6742 HW2 SOL 1723 16.200 29.270 62.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6747 ATOM 6743 OW SOL 1724 5.090 32.800 0.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6748 ATOM 6744 HW1 SOL 1724 5.270 33.700 0.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6749 ATOM 6745 HW2 SOL 1724 5.040 32.120 -0.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6750 ATOM 6746 OW SOL 1725 9.400 35.660 55.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6751 ATOM 6747 HW1 SOL 1725 8.760 35.810 56.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6752 ATOM 6748 HW2 SOL 1725 9.500 34.680 55.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6753 ATOM 6749 OW SOL 1726 1.360 21.660 67.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6754 ATOM 6750 HW1 SOL 1726 0.480 21.520 68.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6755 ATOM 6751 HW2 SOL 1726 1.190 22.100 66.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6756 ATOM 6752 OW SOL 1727 16.990 33.540 54.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6757 ATOM 6753 HW1 SOL 1727 16.560 34.340 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6758 ATOM 6754 HW2 SOL 1727 17.080 32.820 54.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6759 ATOM 6755 OW SOL 1728 3.550 36.860 56.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6760 ATOM 6756 HW1 SOL 1728 3.350 36.570 57.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6761 ATOM 6757 HW2 SOL 1728 4.250 36.260 56.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6762 ATOM 6758 OW SOL 1729 15.210 20.780 61.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6763 ATOM 6759 HW1 SOL 1729 14.780 21.630 60.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6764 ATOM 6760 HW2 SOL 1729 15.990 20.570 60.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6765 ATOM 6761 OW SOL 1730 3.030 35.780 69.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6766 ATOM 6762 HW1 SOL 1730 2.880 34.800 69.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6767 ATOM 6763 HW2 SOL 1730 2.840 35.990 70.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6768 ATOM 6764 OW SOL 1731 8.750 34.850 63.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6769 ATOM 6765 HW1 SOL 1731 9.430 35.350 63.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6770 ATOM 6766 HW2 SOL 1731 9.020 33.890 63.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6771 ATOM 6767 OW SOL 1732 4.100 25.310 59.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6772 ATOM 6768 HW1 SOL 1732 4.180 24.500 59.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6773 ATOM 6769 HW2 SOL 1732 3.550 25.100 60.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6774 ATOM 6770 OW SOL 1733 6.180 18.690 56.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6775 ATOM 6771 HW1 SOL 1733 5.940 17.720 56.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6776 ATOM 6772 HW2 SOL 1733 5.640 19.140 55.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6777 ATOM 6773 OW SOL 1734 4.080 21.120 71.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6778 ATOM 6774 HW1 SOL 1734 4.020 21.840 71.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6779 ATOM 6775 HW2 SOL 1734 5.040 20.830 71.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6780 ATOM 6776 OW SOL 1735 7.920 33.460 68.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6781 ATOM 6777 HW1 SOL 1735 7.760 34.310 67.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6782 ATOM 6778 HW2 SOL 1735 8.680 32.970 67.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6783 ATOM 6779 OW SOL 1736 13.370 23.110 70.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6784 ATOM 6780 HW1 SOL 1736 13.010 24.010 70.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6785 ATOM 6781 HW2 SOL 1736 13.990 22.790 70.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6786 ATOM 6782 OW SOL 1737 7.130 30.460 63.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6787 ATOM 6783 HW1 SOL 1737 6.640 30.260 63.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6788 ATOM 6784 HW2 SOL 1737 6.480 30.490 64.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6789 ATOM 6785 OW SOL 1738 6.280 23.120 63.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6790 ATOM 6786 HW1 SOL 1738 6.920 23.220 63.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6791 ATOM 6787 HW2 SOL 1738 6.660 22.470 64.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6792 ATOM 6788 OW SOL 1739 5.500 17.840 61.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6793 ATOM 6789 HW1 SOL 1739 4.640 17.650 60.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6794 ATOM 6790 HW2 SOL 1739 5.430 18.730 61.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6795 ATOM 6791 OW SOL 1740 13.890 32.160 55.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6796 ATOM 6792 HW1 SOL 1740 14.690 31.790 56.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6797 ATOM 6793 HW2 SOL 1740 13.060 31.900 56.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6798 ATOM 6794 OW SOL 1741 1.080 19.090 56.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6799 ATOM 6795 HW1 SOL 1741 1.150 19.560 55.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6800 ATOM 6796 HW2 SOL 1741 1.670 18.280 56.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6801 ATOM 6797 OW SOL 1742 7.730 20.750 59.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6802 ATOM 6798 HW1 SOL 1742 7.310 20.720 58.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6803 ATOM 6799 HW2 SOL 1742 8.660 21.100 59.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6804 ATOM 6800 OW SOL 1743 9.920 26.580 68.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6805 ATOM 6801 HW1 SOL 1743 9.380 25.860 68.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6806 ATOM 6802 HW2 SOL 1743 10.900 26.360 68.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6807 ATOM 6803 OW SOL 1744 10.550 36.240 62.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6808 ATOM 6804 HW1 SOL 1744 10.830 35.680 61.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6809 ATOM 6805 HW2 SOL 1744 11.190 37.010 62.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6810 ATOM 6806 OW SOL 1745 4.680 31.300 60.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6811 ATOM 6807 HW1 SOL 1745 3.990 30.610 60.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6812 ATOM 6808 HW2 SOL 1745 4.890 31.820 59.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6813 ATOM 6809 OW SOL 1746 11.120 34.910 60.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6814 ATOM 6810 HW1 SOL 1746 11.460 35.700 59.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6815 ATOM 6811 HW2 SOL 1746 10.250 34.610 59.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6816 ATOM 6812 OW SOL 1747 12.300 23.860 53.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6817 ATOM 6813 HW1 SOL 1747 11.660 24.490 53.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6818 ATOM 6814 HW2 SOL 1747 11.910 23.570 54.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6819 ATOM 6815 OW SOL 1748 72.220 26.120 67.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6820 ATOM 6816 HW1 SOL 1748 72.910 26.710 68.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6821 ATOM 6817 HW2 SOL 1748 71.620 25.750 68.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6822 ATOM 6818 OW SOL 1749 5.720 19.830 66.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6823 ATOM 6819 HW1 SOL 1749 6.260 19.270 67.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6824 ATOM 6820 HW2 SOL 1749 4.790 19.940 67.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6825 ATOM 6821 OW SOL 1750 7.880 22.950 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6826 ATOM 6822 HW1 SOL 1750 8.040 23.770 60.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6827 ATOM 6823 HW2 SOL 1750 8.340 22.170 61.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6828 ATOM 6824 OW SOL 1751 11.140 20.230 62.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6829 ATOM 6825 HW1 SOL 1751 12.020 19.800 62.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6830 ATOM 6826 HW2 SOL 1751 10.710 19.750 63.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6831 ATOM 6827 OW SOL 1752 13.030 31.390 62.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6832 ATOM 6828 HW1 SOL 1752 12.420 30.640 62.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6833 ATOM 6829 HW2 SOL 1752 13.700 31.530 61.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6834 ATOM 6830 OW SOL 1753 15.090 24.680 65.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6835 ATOM 6831 HW1 SOL 1753 14.580 24.330 65.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6836 ATOM 6832 HW2 SOL 1753 16.030 24.890 65.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6837 ATOM 6833 OW SOL 1754 19.330 25.980 59.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6838 ATOM 6834 HW1 SOL 1754 19.610 25.280 59.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6839 ATOM 6835 HW2 SOL 1754 19.510 25.650 58.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6840 ATOM 6836 OW SOL 1755 4.950 31.800 56.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6841 ATOM 6837 HW1 SOL 1755 5.030 32.440 57.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6842 ATOM 6838 HW2 SOL 1755 4.980 30.860 56.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6843 ATOM 6839 OW SOL 1756 19.150 33.490 61.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6844 ATOM 6840 HW1 SOL 1756 19.730 32.710 61.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6845 ATOM 6841 HW2 SOL 1756 18.740 33.860 62.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6846 ATOM 6842 OW SOL 1757 13.940 24.650 56.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6847 ATOM 6843 HW1 SOL 1757 14.050 23.930 55.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6848 ATOM 6844 HW2 SOL 1757 14.290 24.330 57.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6849 ATOM 6845 OW SOL 1758 6.880 23.730 57.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6850 ATOM 6846 HW1 SOL 1758 7.680 23.230 56.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6851 ATOM 6847 HW2 SOL 1758 6.690 24.490 56.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6852 ATOM 6848 OW SOL 1759 16.320 31.270 70.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6853 ATOM 6849 HW1 SOL 1759 17.290 31.210 70.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6854 ATOM 6850 HW2 SOL 1759 16.090 32.210 69.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6855 ATOM 6851 OW SOL 1760 10.490 29.720 67.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6856 ATOM 6852 HW1 SOL 1760 9.650 29.580 68.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6857 ATOM 6853 HW2 SOL 1760 10.980 28.850 67.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6858 ATOM 6854 OW SOL 1761 10.220 32.230 66.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6859 ATOM 6855 HW1 SOL 1761 10.570 31.350 66.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6860 ATOM 6856 HW2 SOL 1761 10.070 32.180 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6861 ATOM 6857 OW SOL 1762 15.620 31.350 66.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6862 ATOM 6858 HW1 SOL 1762 15.340 31.620 67.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6863 ATOM 6859 HW2 SOL 1762 14.900 30.790 66.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6864 ATOM 6860 OW SOL 1763 9.710 20.350 67.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6865 ATOM 6861 HW1 SOL 1763 10.290 19.640 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6866 ATOM 6862 HW2 SOL 1763 10.270 20.990 67.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6867 ATOM 6863 OW SOL 1764 7.870 29.470 60.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6868 ATOM 6864 HW1 SOL 1764 8.000 30.380 59.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6869 ATOM 6865 HW2 SOL 1764 7.820 28.790 59.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6870 ATOM 6866 OW SOL 1765 4.590 27.270 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6871 ATOM 6867 HW1 SOL 1765 5.380 27.810 68.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6872 ATOM 6868 HW2 SOL 1765 4.920 26.470 67.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6873 ATOM 6869 OW SOL 1766 12.090 23.750 66.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6874 ATOM 6870 HW1 SOL 1766 12.130 24.560 67.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6875 ATOM 6871 HW2 SOL 1766 11.130 23.550 66.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6876 ATOM 6872 OW SOL 1767 0.300 33.570 70.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6877 ATOM 6873 HW1 SOL 1767 -0.230 34.340 70.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6878 ATOM 6874 HW2 SOL 1767 1.030 33.360 69.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6879 ATOM 6875 OW SOL 1768 2.260 29.760 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6880 ATOM 6876 HW1 SOL 1768 1.860 30.320 59.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6881 ATOM 6877 HW2 SOL 1768 1.550 29.200 60.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6882 ATOM 6878 OW SOL 1769 5.350 20.500 62.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6883 ATOM 6879 HW1 SOL 1769 6.210 20.970 62.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6884 ATOM 6880 HW2 SOL 1769 4.710 21.130 61.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6885 ATOM 6881 OW SOL 1770 10.730 32.090 59.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6886 ATOM 6882 HW1 SOL 1770 10.840 31.510 60.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6887 ATOM 6883 HW2 SOL 1770 10.990 33.030 60.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6888 ATOM 6884 OW SOL 1771 12.730 33.500 66.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6889 ATOM 6885 HW1 SOL 1771 13.490 33.170 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6890 ATOM 6886 HW2 SOL 1771 11.930 32.920 67.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6891 ATOM 6887 OW SOL 1772 16.380 26.740 59.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6892 ATOM 6888 HW1 SOL 1772 16.070 27.290 59.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6893 ATOM 6889 HW2 SOL 1772 17.360 26.550 59.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6894 ATOM 6890 OW SOL 1773 2.660 33.230 68.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6895 ATOM 6891 HW1 SOL 1773 2.320 33.110 67.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6896 ATOM 6892 HW2 SOL 1773 3.630 32.960 68.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6897 ATOM 6893 OW SOL 1774 3.450 24.960 70.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6898 ATOM 6894 HW1 SOL 1774 4.340 25.410 70.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6899 ATOM 6895 HW2 SOL 1774 3.400 24.260 70.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6900 ATOM 6896 OW SOL 1775 15.810 25.740 71.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6901 ATOM 6897 HW1 SOL 1775 15.710 26.620 72.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6902 ATOM 6898 HW2 SOL 1775 15.410 25.800 70.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6903 ATOM 6899 OW SOL 1776 3.830 28.710 65.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6904 ATOM 6900 HW1 SOL 1776 4.300 29.310 65.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6905 ATOM 6901 HW2 SOL 1776 3.120 28.190 65.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6906 ATOM 6902 OW SOL 1777 14.120 27.160 64.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6907 ATOM 6903 HW1 SOL 1777 13.130 27.000 63.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6908 ATOM 6904 HW2 SOL 1777 14.590 26.320 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6909 ATOM 6905 OW SOL 1778 11.330 22.760 56.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6910 ATOM 6906 HW1 SOL 1778 11.690 21.850 56.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6911 ATOM 6907 HW2 SOL 1778 11.330 23.280 57.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6912 ATOM 6908 OW SOL 1779 3.150 19.330 67.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6913 ATOM 6909 HW1 SOL 1779 2.490 20.080 67.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6914 ATOM 6910 HW2 SOL 1779 2.830 18.600 67.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6915 ATOM 6911 OW SOL 1780 72.450 31.220 68.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6916 ATOM 6912 HW1 SOL 1780 71.580 31.620 68.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6917 ATOM 6913 HW2 SOL 1780 72.820 30.680 69.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6918 ATOM 6914 OW SOL 1781 7.520 25.280 64.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6919 ATOM 6915 HW1 SOL 1781 6.900 24.510 64.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6920 ATOM 6916 HW2 SOL 1781 7.160 26.050 64.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6921 ATOM 6917 OW SOL 1782 1.500 19.570 61.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6922 ATOM 6918 HW1 SOL 1782 1.580 20.510 61.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6923 ATOM 6919 HW2 SOL 1782 1.590 18.930 62.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6924 ATOM 6920 OW SOL 1783 15.060 24.320 58.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6925 ATOM 6921 HW1 SOL 1783 14.480 24.180 59.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6926 ATOM 6922 HW2 SOL 1783 15.610 25.150 58.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6927 ATOM 6923 OW SOL 1784 11.570 26.490 62.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6928 ATOM 6924 HW1 SOL 1784 11.010 26.980 63.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6929 ATOM 6925 HW2 SOL 1784 11.370 25.510 62.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6930 ATOM 6926 OW SOL 1785 17.390 34.740 70.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6931 ATOM 6927 HW1 SOL 1785 18.330 34.600 70.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6932 ATOM 6928 HW2 SOL 1785 17.330 34.540 71.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6933 ATOM 6929 OW SOL 1786 15.560 21.790 57.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6934 ATOM 6930 HW1 SOL 1786 14.950 21.200 58.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6935 ATOM 6931 HW2 SOL 1786 15.660 22.670 58.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6936 ATOM 6932 OW SOL 1787 13.220 27.450 56.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6937 ATOM 6933 HW1 SOL 1787 13.270 26.460 56.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6938 ATOM 6934 HW2 SOL 1787 13.260 27.640 55.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6939 ATOM 6935 OW SOL 1788 9.390 32.140 63.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6940 ATOM 6936 HW1 SOL 1788 9.840 31.480 63.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6941 ATOM 6937 HW2 SOL 1788 8.510 31.760 63.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6942 ATOM 6938 OW SOL 1789 2.120 26.330 63.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6943 ATOM 6939 HW1 SOL 1789 2.690 27.020 63.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6944 ATOM 6940 HW2 SOL 1789 2.650 25.500 63.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6945 ATOM 6941 OW SOL 1790 3.470 24.030 64.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6946 ATOM 6942 HW1 SOL 1790 2.730 23.380 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6947 ATOM 6943 HW2 SOL 1790 4.190 23.570 63.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6948 ATOM 6944 OW SOL 1791 11.080 21.860 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6949 ATOM 6945 HW1 SOL 1791 10.550 22.640 69.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6950 ATOM 6946 HW2 SOL 1791 12.000 22.170 69.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6951 ATOM 6947 OW SOL 1792 71.180 29.510 56.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6952 ATOM 6948 HW1 SOL 1792 71.720 29.530 56.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6953 ATOM 6949 HW2 SOL 1792 70.210 29.580 56.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6954 ATOM 6950 OW SOL 1793 1.580 34.590 63.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6955 ATOM 6951 HW1 SOL 1793 0.640 34.240 63.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6956 ATOM 6952 HW2 SOL 1793 1.950 34.590 64.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6957 ATOM 6953 OW SOL 1794 5.550 32.950 64.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6958 ATOM 6954 HW1 SOL 1794 5.780 33.760 65.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6959 ATOM 6955 HW2 SOL 1794 5.710 33.140 63.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6960 ATOM 6956 OW SOL 1795 8.640 27.210 65.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6961 ATOM 6957 HW1 SOL 1795 8.900 27.210 66.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6962 ATOM 6958 HW2 SOL 1795 8.180 26.350 65.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6963 ATOM 6959 OW SOL 1796 71.020 23.920 66.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6964 ATOM 6960 HW1 SOL 1796 70.780 23.350 67.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6965 ATOM 6961 HW2 SOL 1796 71.720 24.590 66.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6966 ATOM 6962 OW SOL 1797 8.380 24.740 59.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6967 ATOM 6963 HW1 SOL 1797 7.760 24.570 58.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6968 ATOM 6964 HW2 SOL 1797 8.180 25.630 59.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6969 ATOM 6965 OW SOL 1798 17.410 25.280 65.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6970 ATOM 6966 HW1 SOL 1798 17.840 24.570 66.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6971 ATOM 6967 HW2 SOL 1798 18.050 26.040 65.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6972 ATOM 6968 OW SOL 1799 72.390 36.650 0.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6973 ATOM 6969 HW1 SOL 1799 71.810 35.840 0.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6974 ATOM 6970 HW2 SOL 1799 72.440 37.010 1.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6975 ATOM 6971 OW SOL 1800 7.060 23.560 67.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6976 ATOM 6972 HW1 SOL 1800 7.470 22.940 67.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6977 ATOM 6973 HW2 SOL 1800 6.180 23.900 67.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6978 ATOM 6974 OW SOL 1801 8.160 34.210 70.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6979 ATOM 6975 HW1 SOL 1801 7.560 33.810 70.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6980 ATOM 6976 HW2 SOL 1801 8.000 35.200 70.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6981 ATOM 6977 OW SOL 1802 72.500 22.670 55.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6982 ATOM 6978 HW1 SOL 1802 72.180 23.110 55.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6983 ATOM 6979 HW2 SOL 1802 72.300 23.260 56.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6984 ATOM 6980 OW SOL 1803 0.610 28.970 70.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6985 ATOM 6981 HW1 SOL 1803 1.080 29.510 71.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6986 ATOM 6982 HW2 SOL 1803 1.250 28.320 70.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6987 ATOM 6983 OW SOL 1804 13.850 29.730 64.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6988 ATOM 6984 HW1 SOL 1804 14.000 28.820 64.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6989 ATOM 6985 HW2 SOL 1804 13.590 30.370 64.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6990 ATOM 6986 OW SOL 1805 15.840 28.040 56.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6991 ATOM 6987 HW1 SOL 1805 15.990 27.470 57.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6992 ATOM 6988 HW2 SOL 1805 14.870 28.000 56.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6993 ATOM 6989 OW SOL 1806 20.870 34.040 65.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6994 ATOM 6990 HW1 SOL 1806 21.370 33.500 64.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6995 ATOM 6991 HW2 SOL 1806 19.970 34.280 64.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6996 ATOM 6992 OW SOL 1807 11.810 36.680 65.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6997 ATOM 6993 HW1 SOL 1807 12.170 36.890 64.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6998 ATOM 6994 HW2 SOL 1807 11.930 35.710 65.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
6999 ATOM 6995 OW SOL 1808 0.510 30.450 66.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7000 ATOM 6996 HW1 SOL 1808 0.180 30.710 66.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7001 ATOM 6997 HW2 SOL 1808 0.850 29.510 66.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7002 ATOM 6998 OW SOL 1809 19.330 22.160 57.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7003 ATOM 6999 HW1 SOL 1809 19.780 21.300 57.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7004 ATOM 7000 HW2 SOL 1809 18.530 21.970 58.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7005 ATOM 7001 OW SOL 1810 14.390 33.420 59.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7006 ATOM 7002 HW1 SOL 1810 15.070 34.030 58.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7007 ATOM 7003 HW2 SOL 1810 13.620 33.330 58.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7008 ATOM 7004 OW SOL 1811 13.790 28.960 59.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7009 ATOM 7005 HW1 SOL 1811 14.440 28.790 60.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7010 ATOM 7006 HW2 SOL 1811 14.050 29.790 59.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7011 ATOM 7007 OW SOL 1812 8.370 29.730 71.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7012 ATOM 7008 HW1 SOL 1812 9.300 29.530 72.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7013 ATOM 7009 HW2 SOL 1812 7.740 29.730 72.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7014 ATOM 7010 OW SOL 1813 5.420 35.270 55.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7015 ATOM 7011 HW1 SOL 1813 5.870 35.130 54.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7016 ATOM 7012 HW2 SOL 1813 5.090 34.400 56.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7017 ATOM 7013 OW SOL 1814 15.080 33.910 69.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7018 ATOM 7014 HW1 SOL 1814 15.920 34.180 69.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7019 ATOM 7015 HW2 SOL 1814 14.450 34.680 69.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7020 ATOM 7016 OW SOL 1815 18.590 20.890 64.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7021 ATOM 7017 HW1 SOL 1815 18.990 20.000 64.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7022 ATOM 7018 HW2 SOL 1815 17.610 20.870 64.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7023 ATOM 7019 OW SOL 1816 3.560 22.160 60.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7024 ATOM 7020 HW1 SOL 1816 2.680 22.630 60.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7025 ATOM 7021 HW2 SOL 1816 4.010 22.410 59.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7026 ATOM 7022 OW SOL 1817 9.720 32.990 55.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7027 ATOM 7023 HW1 SOL 1817 10.510 32.700 56.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7028 ATOM 7024 HW2 SOL 1817 9.490 32.280 55.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7029 ATOM 7025 OW SOL 1818 6.750 29.150 69.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7030 ATOM 7026 HW1 SOL 1818 7.150 29.340 69.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7031 ATOM 7027 HW2 SOL 1818 7.460 29.230 70.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7032 ATOM 7028 OW SOL 1819 10.200 26.750 56.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7033 ATOM 7029 HW1 SOL 1819 10.370 27.650 56.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7034 ATOM 7030 HW2 SOL 1819 10.300 26.040 56.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7035 ATOM 7031 OW SOL 1820 13.500 34.770 54.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7036 ATOM 7032 HW1 SOL 1820 13.830 33.920 55.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7037 ATOM 7033 HW2 SOL 1820 14.120 35.050 54.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7038 ATOM 7034 OW SOL 1821 72.350 31.680 72.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7039 ATOM 7035 HW1 SOL 1821 72.610 32.340 71.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7040 ATOM 7036 HW2 SOL 1821 73.120 31.060 72.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7041 ATOM 7037 OW SOL 1822 13.830 30.020 69.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7042 ATOM 7038 HW1 SOL 1822 14.650 30.280 69.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7043 ATOM 7039 HW2 SOL 1822 13.090 30.660 69.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7044 ATOM 7040 OW SOL 1823 10.390 30.090 61.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7045 ATOM 7041 HW1 SOL 1823 10.270 29.620 62.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7046 ATOM 7042 HW2 SOL 1823 9.820 29.650 61.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7047 ATOM 7043 OW SOL 1824 7.760 21.670 66.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7048 ATOM 7044 HW1 SOL 1824 6.830 21.290 66.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7049 ATOM 7045 HW2 SOL 1824 8.400 21.030 66.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7050 ATOM 7046 OW SOL 1825 5.380 33.180 58.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7051 ATOM 7047 HW1 SOL 1825 5.310 34.100 58.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7052 ATOM 7048 HW2 SOL 1825 6.290 32.810 58.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7053 ATOM 7049 OW SOL 1826 18.780 23.520 67.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7054 ATOM 7050 HW1 SOL 1826 19.020 24.260 68.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7055 ATOM 7051 HW2 SOL 1826 18.340 22.780 68.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7056 ATOM 7052 OW SOL 1827 0.700 31.490 58.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7057 ATOM 7053 HW1 SOL 1827 -0.160 31.020 58.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7058 ATOM 7054 HW2 SOL 1827 0.520 32.440 58.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7059 ATOM 7055 OW SOL 1828 2.230 30.070 72.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7060 ATOM 7056 HW1 SOL 1828 2.070 30.190 73.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7061 ATOM 7057 HW2 SOL 1828 3.220 29.980 72.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7062 ATOM 7058 OW SOL 1829 7.780 18.550 68.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7063 ATOM 7059 HW1 SOL 1829 8.660 18.990 67.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7064 ATOM 7060 HW2 SOL 1829 7.830 18.040 68.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7065 ATOM 7061 OW SOL 1830 66.700 20.330 55.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7066 ATOM 7062 HW1 SOL 1830 67.260 20.170 56.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7067 ATOM 7063 HW2 SOL 1830 66.760 19.530 54.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7068 ATOM 7064 OW SOL 1831 12.460 25.890 68.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7069 ATOM 7065 HW1 SOL 1831 12.690 26.790 67.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7070 ATOM 7066 HW2 SOL 1831 12.580 25.880 68.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7071 ATOM 7067 OW SOL 1832 0.030 19.530 58.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7072 ATOM 7068 HW1 SOL 1832 0.600 19.170 58.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7073 ATOM 7069 HW2 SOL 1832 0.600 19.670 59.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7074 ATOM 7070 OW SOL 1833 11.570 31.790 57.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7075 ATOM 7071 HW1 SOL 1833 11.490 30.820 57.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7076 ATOM 7072 HW2 SOL 1833 11.390 31.920 58.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7077 ATOM 7073 OW SOL 1834 5.560 26.410 70.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7078 ATOM 7074 HW1 SOL 1834 5.630 27.390 70.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7079 ATOM 7075 HW2 SOL 1834 5.660 26.260 71.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7080 ATOM 7076 OW SOL 1835 12.980 37.480 62.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7081 ATOM 7077 HW1 SOL 1835 13.550 38.280 62.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7082 ATOM 7078 HW2 SOL 1835 13.460 36.650 62.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7083 ATOM 7079 OW SOL 1836 5.940 24.740 0.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7084 ATOM 7080 HW1 SOL 1836 6.110 25.080 1.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7085 ATOM 7081 HW2 SOL 1836 5.360 23.930 0.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7086 ATOM 7082 OW SOL 1837 2.800 36.490 72.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7087 ATOM 7083 HW1 SOL 1837 2.540 37.460 72.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7088 ATOM 7084 HW2 SOL 1837 2.330 35.980 73.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7089 ATOM 7085 OW SOL 1838 16.130 27.480 67.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7090 ATOM 7086 HW1 SOL 1838 16.990 26.980 67.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7091 ATOM 7087 HW2 SOL 1838 16.080 28.230 66.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7092 ATOM 7088 OW SOL 1839 10.390 21.990 59.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7093 ATOM 7089 HW1 SOL 1839 11.070 21.660 59.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7094 ATOM 7090 HW2 SOL 1839 10.620 22.910 58.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7095 ATOM 7091 OW SOL 1840 3.760 27.740 62.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7096 ATOM 7092 HW1 SOL 1840 4.500 28.040 62.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7097 ATOM 7093 HW2 SOL 1840 4.130 27.530 61.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7098 ATOM 7094 OW SOL 1841 14.770 27.470 69.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7099 ATOM 7095 HW1 SOL 1841 14.390 28.390 69.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7100 ATOM 7096 HW2 SOL 1841 15.230 27.290 68.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7101 ATOM 7097 OW SOL 1842 7.770 32.050 58.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7102 ATOM 7098 HW1 SOL 1842 8.250 32.780 59.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7103 ATOM 7099 HW2 SOL 1842 8.380 31.680 57.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7104 ATOM 7100 OW SOL 1843 7.560 35.570 66.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7105 ATOM 7101 HW1 SOL 1843 6.770 36.160 66.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7106 ATOM 7102 HW2 SOL 1843 7.980 35.290 65.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7107 ATOM 7103 OW SOL 1844 10.130 28.710 64.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7108 ATOM 7104 HW1 SOL 1844 9.400 28.230 64.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7109 ATOM 7105 HW2 SOL 1844 10.670 29.230 64.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7110 ATOM 7106 OW SOL 1845 11.320 29.140 56.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7111 ATOM 7107 HW1 SOL 1845 10.860 29.530 56.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7112 ATOM 7108 HW2 SOL 1845 11.980 28.450 56.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7113 ATOM 7109 OW SOL 1846 18.320 34.600 63.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7114 ATOM 7110 HW1 SOL 1846 18.300 35.600 63.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7115 ATOM 7111 HW2 SOL 1846 17.470 34.270 64.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7116 ATOM 7112 OW SOL 1847 0.020 30.770 63.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7117 ATOM 7113 HW1 SOL 1847 0.990 30.910 63.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7118 ATOM 7114 HW2 SOL 1847 -0.100 29.890 62.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7119 ATOM 7115 OW SOL 1848 7.860 32.700 0.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7120 ATOM 7116 HW1 SOL 1848 6.880 32.720 0.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7121 ATOM 7117 HW2 SOL 1848 8.050 33.280 -0.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7122 ATOM 7118 OW SOL 1849 17.920 21.240 68.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7123 ATOM 7119 HW1 SOL 1849 18.620 20.900 68.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7124 ATOM 7120 HW2 SOL 1849 17.490 20.470 69.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7125 ATOM 7121 OW SOL 1850 4.320 22.700 58.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7126 ATOM 7122 HW1 SOL 1850 5.230 22.640 57.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7127 ATOM 7123 HW2 SOL 1850 3.640 22.470 57.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7128 ATOM 7124 OW SOL 1851 16.140 33.030 64.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7129 ATOM 7125 HW1 SOL 1851 15.200 33.370 64.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7130 ATOM 7126 HW2 SOL 1851 16.220 32.370 65.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7131 ATOM 7127 OW SOL 1852 4.740 24.520 66.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7132 ATOM 7128 HW1 SOL 1852 4.270 23.750 67.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7133 ATOM 7129 HW2 SOL 1852 4.440 24.590 65.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7134 ATOM 7130 OW SOL 1853 6.770 35.060 62.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7135 ATOM 7131 HW1 SOL 1853 6.450 36.010 62.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7136 ATOM 7132 HW2 SOL 1853 7.480 34.960 62.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7137 ATOM 7133 OW SOL 1854 13.280 21.380 65.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7138 ATOM 7134 HW1 SOL 1854 13.660 20.990 66.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7139 ATOM 7135 HW2 SOL 1854 12.750 22.200 65.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7140 ATOM 7136 OW SOL 1855 11.630 18.480 66.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7141 ATOM 7137 HW1 SOL 1855 11.120 18.220 65.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7142 ATOM 7138 HW2 SOL 1855 12.610 18.430 66.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7143 ATOM 7139 OW SOL 1856 5.960 29.750 61.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7144 ATOM 7140 HW1 SOL 1856 6.700 29.480 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7145 ATOM 7141 HW2 SOL 1856 5.310 30.330 61.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7146 ATOM 7142 OW SOL 1857 5.720 31.970 68.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7147 ATOM 7143 HW1 SOL 1857 5.970 31.440 69.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7148 ATOM 7144 HW2 SOL 1857 6.420 32.650 68.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7149 ATOM 7145 OW SOL 1858 13.530 20.080 58.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7150 ATOM 7146 HW1 SOL 1858 14.300 19.530 58.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7151 ATOM 7147 HW2 SOL 1858 12.730 19.480 58.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7152 ATOM 7148 OW SOL 1859 13.580 23.910 61.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7153 ATOM 7149 HW1 SOL 1859 13.160 24.690 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7154 ATOM 7150 HW2 SOL 1859 13.000 23.620 61.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7155 ATOM 7151 OW SOL 1860 15.910 20.990 64.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7156 ATOM 7152 HW1 SOL 1860 15.020 20.960 65.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7157 ATOM 7153 HW2 SOL 1860 15.910 21.710 63.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7158 ATOM 7154 OW SOL 1861 1.670 25.190 56.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7159 ATOM 7155 HW1 SOL 1861 1.460 24.680 55.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7160 ATOM 7156 HW2 SOL 1861 0.850 25.250 56.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7161 ATOM 7157 OW SOL 1862 7.230 35.970 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7162 ATOM 7158 HW1 SOL 1862 6.580 35.770 56.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7163 ATOM 7159 HW2 SOL 1862 7.030 36.870 58.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7164 ATOM 7160 OW SOL 1863 0.290 43.870 2.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7165 ATOM 7161 HW1 SOL 1863 0.400 43.770 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7166 ATOM 7162 HW2 SOL 1863 0.110 44.840 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7167 ATOM 7163 OW SOL 1864 1.110 39.290 10.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7168 ATOM 7164 HW1 SOL 1864 1.510 38.760 11.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7169 ATOM 7165 HW2 SOL 1864 0.160 39.520 10.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7170 ATOM 7166 OW SOL 1865 71.450 39.070 7.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7171 ATOM 7167 HW1 SOL 1865 71.860 38.200 7.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7172 ATOM 7168 HW2 SOL 1865 72.150 39.780 7.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7173 ATOM 7169 OW SOL 1866 3.500 45.930 9.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7174 ATOM 7170 HW1 SOL 1866 3.360 45.590 10.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7175 ATOM 7171 HW2 SOL 1866 3.690 46.910 9.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7176 ATOM 7172 OW SOL 1867 14.970 53.930 7.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7177 ATOM 7173 HW1 SOL 1867 15.450 53.060 7.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7178 ATOM 7174 HW2 SOL 1867 14.290 53.980 6.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7179 ATOM 7175 OW SOL 1868 14.060 44.480 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7180 ATOM 7176 HW1 SOL 1868 14.340 45.050 7.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7181 ATOM 7177 HW2 SOL 1868 13.650 45.050 9.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7182 ATOM 7178 OW SOL 1869 19.780 44.900 1.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7183 ATOM 7179 HW1 SOL 1869 18.950 44.670 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7184 ATOM 7180 HW2 SOL 1869 19.740 44.450 2.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7185 ATOM 7181 OW SOL 1870 6.070 45.360 9.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7186 ATOM 7182 HW1 SOL 1870 5.110 45.620 9.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7187 ATOM 7183 HW2 SOL 1870 6.660 46.130 9.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7188 ATOM 7184 OW SOL 1871 9.560 44.110 17.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7189 ATOM 7185 HW1 SOL 1871 8.860 44.110 16.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7190 ATOM 7186 HW2 SOL 1871 9.320 44.780 18.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7191 ATOM 7187 OW SOL 1872 8.010 47.010 5.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7192 ATOM 7188 HW1 SOL 1872 8.940 46.670 6.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7193 ATOM 7189 HW2 SOL 1872 7.410 46.610 6.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7194 ATOM 7190 OW SOL 1873 8.850 48.670 17.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7195 ATOM 7191 HW1 SOL 1873 9.260 49.130 18.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7196 ATOM 7192 HW2 SOL 1873 8.450 49.340 17.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7197 ATOM 7193 OW SOL 1874 3.440 48.610 10.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7198 ATOM 7194 HW1 SOL 1874 2.460 48.440 10.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7199 ATOM 7195 HW2 SOL 1874 3.660 49.510 11.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7200 ATOM 7196 OW SOL 1875 14.090 51.220 12.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7201 ATOM 7197 HW1 SOL 1875 14.550 52.110 12.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7202 ATOM 7198 HW2 SOL 1875 13.440 51.210 13.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7203 ATOM 7199 OW SOL 1876 3.490 38.390 15.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7204 ATOM 7200 HW1 SOL 1876 4.320 38.350 16.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7205 ATOM 7201 HW2 SOL 1876 2.690 38.470 16.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7206 ATOM 7202 OW SOL 1877 15.170 40.470 6.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7207 ATOM 7203 HW1 SOL 1877 15.770 41.070 5.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7208 ATOM 7204 HW2 SOL 1877 14.540 41.030 6.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7209 ATOM 7205 OW SOL 1878 0.760 55.400 5.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7210 ATOM 7206 HW1 SOL 1878 1.470 55.650 5.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7211 ATOM 7207 HW2 SOL 1878 1.050 55.670 4.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7212 ATOM 7208 OW SOL 1879 11.420 48.880 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7213 ATOM 7209 HW1 SOL 1879 12.340 48.620 13.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7214 ATOM 7210 HW2 SOL 1879 11.040 48.200 14.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7215 ATOM 7211 OW SOL 1880 2.000 50.920 5.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7216 ATOM 7212 HW1 SOL 1880 1.360 51.590 5.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7217 ATOM 7213 HW2 SOL 1880 1.800 50.010 5.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7218 ATOM 7214 OW SOL 1881 3.470 44.040 8.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7219 ATOM 7215 HW1 SOL 1881 3.440 43.200 8.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7220 ATOM 7216 HW2 SOL 1881 3.340 44.830 8.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7221 ATOM 7217 OW SOL 1882 5.870 52.790 13.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7222 ATOM 7218 HW1 SOL 1882 6.070 53.030 14.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7223 ATOM 7219 HW2 SOL 1882 6.470 53.310 12.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7224 ATOM 7220 OW SOL 1883 3.720 48.550 4.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7225 ATOM 7221 HW1 SOL 1883 4.690 48.790 4.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7226 ATOM 7222 HW2 SOL 1883 3.390 48.880 3.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7227 ATOM 7223 OW SOL 1884 14.170 36.650 13.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7228 ATOM 7224 HW1 SOL 1884 13.930 37.600 13.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7229 ATOM 7225 HW2 SOL 1884 13.480 36.220 13.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7230 ATOM 7226 OW SOL 1885 0.540 41.330 7.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7231 ATOM 7227 HW1 SOL 1885 1.500 41.100 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7232 ATOM 7228 HW2 SOL 1885 0.470 42.270 8.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7233 ATOM 7229 OW SOL 1886 20.710 53.790 4.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7234 ATOM 7230 HW1 SOL 1886 20.820 52.880 4.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7235 ATOM 7231 HW2 SOL 1886 21.600 54.130 4.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7236 ATOM 7232 OW SOL 1887 71.950 50.100 3.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7237 ATOM 7233 HW1 SOL 1887 71.240 50.520 3.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7238 ATOM 7234 HW2 SOL 1887 72.790 50.640 3.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7239 ATOM 7235 OW SOL 1888 19.310 45.750 6.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7240 ATOM 7236 HW1 SOL 1888 19.430 44.990 6.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7241 ATOM 7237 HW2 SOL 1888 19.560 46.610 6.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7242 ATOM 7238 OW SOL 1889 20.120 48.210 5.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7243 ATOM 7239 HW1 SOL 1889 21.100 48.000 5.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7244 ATOM 7240 HW2 SOL 1889 19.720 47.970 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7245 ATOM 7241 OW SOL 1890 2.320 43.640 15.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7246 ATOM 7242 HW1 SOL 1890 2.700 42.850 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7247 ATOM 7243 HW2 SOL 1890 1.340 43.710 15.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7248 ATOM 7244 OW SOL 1891 6.580 48.720 7.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7249 ATOM 7245 HW1 SOL 1891 5.670 48.640 7.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7250 ATOM 7246 HW2 SOL 1891 7.190 49.190 7.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7251 ATOM 7247 OW SOL 1892 13.700 48.190 13.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7252 ATOM 7248 HW1 SOL 1892 14.200 48.850 12.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7253 ATOM 7249 HW2 SOL 1892 14.180 48.090 14.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7254 ATOM 7250 OW SOL 1893 8.550 38.290 4.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7255 ATOM 7251 HW1 SOL 1893 8.990 39.190 4.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7256 ATOM 7252 HW2 SOL 1893 7.570 38.380 4.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7257 ATOM 7253 OW SOL 1894 3.100 44.550 13.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7258 ATOM 7254 HW1 SOL 1894 3.550 43.690 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7259 ATOM 7255 HW2 SOL 1894 2.730 44.490 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7260 ATOM 7256 OW SOL 1895 17.310 47.780 4.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7261 ATOM 7257 HW1 SOL 1895 17.000 46.930 3.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7262 ATOM 7258 HW2 SOL 1895 16.980 48.560 3.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7263 ATOM 7259 OW SOL 1896 13.820 54.850 15.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7264 ATOM 7260 HW1 SOL 1896 12.980 55.210 14.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7265 ATOM 7261 HW2 SOL 1896 13.610 54.010 15.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7266 ATOM 7262 OW SOL 1897 4.050 38.240 19.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7267 ATOM 7263 HW1 SOL 1897 4.210 39.210 19.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7268 ATOM 7264 HW2 SOL 1897 3.080 38.080 19.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7269 ATOM 7265 OW SOL 1898 16.060 50.910 7.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7270 ATOM 7266 HW1 SOL 1898 15.680 50.880 8.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7271 ATOM 7267 HW2 SOL 1898 16.490 50.030 7.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7272 ATOM 7268 OW SOL 1899 16.490 54.870 5.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7273 ATOM 7269 HW1 SOL 1899 16.420 54.020 4.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7274 ATOM 7270 HW2 SOL 1899 15.700 54.950 5.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7275 ATOM 7271 OW SOL 1900 4.270 45.070 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7276 ATOM 7272 HW1 SOL 1900 5.150 45.490 3.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7277 ATOM 7273 HW2 SOL 1900 3.920 44.600 3.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7278 ATOM 7274 OW SOL 1901 10.900 39.570 9.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7279 ATOM 7275 HW1 SOL 1901 10.040 39.140 9.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7280 ATOM 7276 HW2 SOL 1901 11.670 39.070 9.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7281 ATOM 7277 OW SOL 1902 16.990 52.720 3.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7282 ATOM 7278 HW1 SOL 1902 17.330 52.040 4.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7283 ATOM 7279 HW2 SOL 1902 17.450 52.600 2.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7284 ATOM 7280 OW SOL 1903 6.800 41.810 15.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7285 ATOM 7281 HW1 SOL 1903 7.770 41.540 15.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7286 ATOM 7282 HW2 SOL 1903 6.280 41.160 14.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7287 ATOM 7283 OW SOL 1904 14.520 41.930 15.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7288 ATOM 7284 HW1 SOL 1904 15.180 42.670 15.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7289 ATOM 7285 HW2 SOL 1904 14.940 41.060 15.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7290 ATOM 7286 OW SOL 1905 10.470 45.300 13.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7291 ATOM 7287 HW1 SOL 1905 10.530 44.440 14.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7292 ATOM 7288 HW2 SOL 1905 9.510 45.510 13.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7293 ATOM 7289 OW SOL 1906 11.460 40.190 12.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7294 ATOM 7290 HW1 SOL 1906 11.110 39.810 11.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7295 ATOM 7291 HW2 SOL 1906 11.370 41.180 12.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7296 ATOM 7292 OW SOL 1907 13.340 43.480 4.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7297 ATOM 7293 HW1 SOL 1907 13.670 44.420 5.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7298 ATOM 7294 HW2 SOL 1907 13.380 42.980 5.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7299 ATOM 7295 OW SOL 1908 0.340 44.160 7.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7300 ATOM 7296 HW1 SOL 1908 1.330 44.100 7.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7301 ATOM 7297 HW2 SOL 1908 0.160 44.910 8.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7302 ATOM 7298 OW SOL 1909 71.810 54.490 15.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7303 ATOM 7299 HW1 SOL 1909 72.310 54.100 16.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7304 ATOM 7300 HW2 SOL 1909 71.650 55.460 15.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7305 ATOM 7301 OW SOL 1910 7.710 41.670 1.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7306 ATOM 7302 HW1 SOL 1910 6.930 42.020 1.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7307 ATOM 7303 HW2 SOL 1910 8.480 42.290 1.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7308 ATOM 7304 OW SOL 1911 16.520 42.420 17.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7309 ATOM 7305 HW1 SOL 1911 16.100 43.270 17.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7310 ATOM 7306 HW2 SOL 1911 15.850 41.890 18.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7311 ATOM 7307 OW SOL 1912 13.880 46.690 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7312 ATOM 7308 HW1 SOL 1912 13.420 46.440 2.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7313 ATOM 7309 HW2 SOL 1912 13.510 47.550 3.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7314 ATOM 7310 OW SOL 1913 6.530 35.550 7.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7315 ATOM 7311 HW1 SOL 1913 6.230 36.430 8.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7316 ATOM 7312 HW2 SOL 1913 7.440 35.650 7.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7317 ATOM 7313 OW SOL 1914 9.050 50.150 4.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7318 ATOM 7314 HW1 SOL 1914 8.950 51.140 4.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7319 ATOM 7315 HW2 SOL 1914 9.170 49.950 5.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7320 ATOM 7316 OW SOL 1915 3.810 54.130 8.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7321 ATOM 7317 HW1 SOL 1915 4.470 53.550 7.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7322 ATOM 7318 HW2 SOL 1915 4.240 54.560 9.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7323 ATOM 7319 OW SOL 1916 18.880 47.450 8.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7324 ATOM 7320 HW1 SOL 1916 19.190 46.660 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7325 ATOM 7321 HW2 SOL 1916 18.140 47.180 9.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7326 ATOM 7322 OW SOL 1917 11.650 51.550 14.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7327 ATOM 7323 HW1 SOL 1917 11.540 50.590 13.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7328 ATOM 7324 HW2 SOL 1917 10.790 51.880 14.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7329 ATOM 7325 OW SOL 1918 2.830 47.080 1.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7330 ATOM 7326 HW1 SOL 1918 3.430 46.400 1.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7331 ATOM 7327 HW2 SOL 1918 3.000 47.120 0.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7332 ATOM 7328 OW SOL 1919 16.340 45.940 6.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7333 ATOM 7329 HW1 SOL 1919 17.060 45.320 6.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7334 ATOM 7330 HW2 SOL 1919 16.560 46.230 5.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7335 ATOM 7331 OW SOL 1920 4.460 51.270 15.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7336 ATOM 7332 HW1 SOL 1920 4.710 50.690 15.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7337 ATOM 7333 HW2 SOL 1920 3.930 50.750 16.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7338 ATOM 7334 OW SOL 1921 8.710 52.460 1.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7339 ATOM 7335 HW1 SOL 1921 8.760 52.460 2.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7340 ATOM 7336 HW2 SOL 1921 7.890 51.960 0.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7341 ATOM 7337 OW SOL 1922 71.740 39.980 14.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7342 ATOM 7338 HW1 SOL 1922 72.380 40.380 13.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7343 ATOM 7339 HW2 SOL 1922 71.370 39.130 14.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7344 ATOM 7340 OW SOL 1923 16.110 49.660 2.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7345 ATOM 7341 HW1 SOL 1923 16.200 49.070 1.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7346 ATOM 7342 HW2 SOL 1923 15.500 50.420 2.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7347 ATOM 7343 OW SOL 1924 1.240 56.080 2.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7348 ATOM 7344 HW1 SOL 1924 2.040 56.450 2.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7349 ATOM 7345 HW2 SOL 1924 0.580 55.770 2.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7350 ATOM 7346 OW SOL 1925 15.590 38.310 1.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7351 ATOM 7347 HW1 SOL 1925 14.790 37.960 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7352 ATOM 7348 HW2 SOL 1925 16.130 37.540 2.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7353 ATOM 7349 OW SOL 1926 2.340 52.120 11.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7354 ATOM 7350 HW1 SOL 1926 3.140 51.540 11.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7355 ATOM 7351 HW2 SOL 1926 1.700 51.600 10.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7356 ATOM 7352 OW SOL 1927 8.400 52.750 8.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7357 ATOM 7353 HW1 SOL 1927 8.990 52.030 8.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7358 ATOM 7354 HW2 SOL 1927 7.510 52.720 8.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7359 ATOM 7355 OW SOL 1928 2.990 44.090 5.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7360 ATOM 7356 HW1 SOL 1928 2.140 43.590 5.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7361 ATOM 7357 HW2 SOL 1928 3.150 44.170 6.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7362 ATOM 7358 OW SOL 1929 15.250 37.800 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7363 ATOM 7359 HW1 SOL 1929 14.320 37.480 16.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7364 ATOM 7360 HW2 SOL 1929 15.480 37.690 17.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7365 ATOM 7361 OW SOL 1930 7.190 38.870 0.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7366 ATOM 7362 HW1 SOL 1930 8.040 39.370 0.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7367 ATOM 7363 HW2 SOL 1930 6.890 38.430 0.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7368 ATOM 7364 OW SOL 1931 8.260 38.290 17.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7369 ATOM 7365 HW1 SOL 1931 8.840 38.060 17.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7370 ATOM 7366 HW2 SOL 1931 7.340 37.910 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7371 ATOM 7367 OW SOL 1932 10.960 51.390 11.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7372 ATOM 7368 HW1 SOL 1932 11.670 50.960 10.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7373 ATOM 7369 HW2 SOL 1932 11.360 51.780 12.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7374 ATOM 7370 OW SOL 1933 13.090 43.090 13.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7375 ATOM 7371 HW1 SOL 1933 13.680 42.470 13.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7376 ATOM 7372 HW2 SOL 1933 13.450 44.020 13.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7377 ATOM 7373 OW SOL 1934 8.060 47.300 9.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7378 ATOM 7374 HW1 SOL 1934 7.450 47.920 9.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7379 ATOM 7375 HW2 SOL 1934 8.540 47.800 10.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7380 ATOM 7376 OW SOL 1935 10.740 41.830 8.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7381 ATOM 7377 HW1 SOL 1935 10.190 41.360 7.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7382 ATOM 7378 HW2 SOL 1935 10.800 41.280 8.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7383 ATOM 7379 OW SOL 1936 5.940 38.390 4.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7384 ATOM 7380 HW1 SOL 1936 5.380 37.850 5.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7385 ATOM 7381 HW2 SOL 1936 5.670 39.350 4.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7386 ATOM 7382 OW SOL 1937 11.180 48.340 0.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7387 ATOM 7383 HW1 SOL 1937 11.650 47.470 0.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7388 ATOM 7384 HW2 SOL 1937 11.070 48.470 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7389 ATOM 7385 OW SOL 1938 2.840 37.780 3.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7390 ATOM 7386 HW1 SOL 1938 2.960 36.980 3.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7391 ATOM 7387 HW2 SOL 1938 3.450 37.710 4.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7392 ATOM 7388 OW SOL 1939 9.350 40.800 3.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7393 ATOM 7389 HW1 SOL 1939 8.660 41.050 3.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7394 ATOM 7390 HW2 SOL 1939 10.260 40.830 3.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7395 ATOM 7391 OW SOL 1940 10.670 42.680 14.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7396 ATOM 7392 HW1 SOL 1940 10.600 41.910 14.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7397 ATOM 7393 HW2 SOL 1940 11.630 42.900 13.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7398 ATOM 7394 OW SOL 1941 12.250 51.510 7.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7399 ATOM 7395 HW1 SOL 1941 13.150 51.310 6.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7400 ATOM 7396 HW2 SOL 1941 12.350 52.250 7.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7401 ATOM 7397 OW SOL 1942 4.280 47.260 7.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7402 ATOM 7398 HW1 SOL 1942 4.150 46.320 7.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7403 ATOM 7399 HW2 SOL 1942 3.440 47.580 6.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7404 ATOM 7400 OW SOL 1943 13.280 54.390 5.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7405 ATOM 7401 HW1 SOL 1943 13.220 54.940 4.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7406 ATOM 7402 HW2 SOL 1943 12.370 54.270 5.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7407 ATOM 7403 OW SOL 1944 10.500 43.510 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7408 ATOM 7404 HW1 SOL 1944 10.240 43.920 2.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7409 ATOM 7405 HW2 SOL 1944 11.220 42.830 1.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7410 ATOM 7406 OW SOL 1945 1.580 40.740 13.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7411 ATOM 7407 HW1 SOL 1945 2.040 39.950 12.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7412 ATOM 7408 HW2 SOL 1945 2.020 40.990 14.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7413 ATOM 7409 OW SOL 1946 5.350 36.440 11.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7414 ATOM 7410 HW1 SOL 1946 6.110 36.490 12.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7415 ATOM 7411 HW2 SOL 1946 4.560 36.030 11.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7416 ATOM 7412 OW SOL 1947 8.370 40.690 6.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7417 ATOM 7413 HW1 SOL 1947 7.990 41.590 6.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7418 ATOM 7414 HW2 SOL 1947 8.910 40.360 5.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7419 ATOM 7415 OW SOL 1948 8.670 35.980 6.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7420 ATOM 7416 HW1 SOL 1948 8.480 36.810 5.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7421 ATOM 7417 HW2 SOL 1948 9.450 35.500 5.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7422 ATOM 7418 OW SOL 1949 17.480 48.790 6.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7423 ATOM 7419 HW1 SOL 1949 17.640 48.090 7.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7424 ATOM 7420 HW2 SOL 1949 17.640 48.400 6.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7425 ATOM 7421 OW SOL 1950 16.700 43.410 8.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7426 ATOM 7422 HW1 SOL 1950 15.820 43.690 8.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7427 ATOM 7423 HW2 SOL 1950 17.230 42.940 8.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7428 ATOM 7424 OW SOL 1951 19.600 43.530 3.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7429 ATOM 7425 HW1 SOL 1951 19.770 43.230 4.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7430 ATOM 7426 HW2 SOL 1951 18.820 43.030 3.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7431 ATOM 7427 OW SOL 1952 2.970 51.750 3.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7432 ATOM 7428 HW1 SOL 1952 2.630 51.450 3.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7433 ATOM 7429 HW2 SOL 1952 2.760 51.060 2.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7434 ATOM 7430 OW SOL 1953 18.740 51.020 5.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7435 ATOM 7431 HW1 SOL 1953 19.710 51.200 5.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7436 ATOM 7432 HW2 SOL 1953 18.330 50.590 6.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7437 ATOM 7433 OW SOL 1954 14.440 42.220 1.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7438 ATOM 7434 HW1 SOL 1954 14.240 41.750 2.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7439 ATOM 7435 HW2 SOL 1954 15.230 41.790 1.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7440 ATOM 7436 OW SOL 1955 5.840 41.030 3.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7441 ATOM 7437 HW1 SOL 1955 6.610 40.890 3.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7442 ATOM 7438 HW2 SOL 1955 4.980 40.880 3.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7443 ATOM 7439 OW SOL 1956 18.310 49.780 13.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7444 ATOM 7440 HW1 SOL 1956 18.830 49.280 14.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7445 ATOM 7441 HW2 SOL 1956 17.780 50.510 14.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7446 ATOM 7442 OW SOL 1957 10.200 48.130 11.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7447 ATOM 7443 HW1 SOL 1957 10.930 47.460 11.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7448 ATOM 7444 HW2 SOL 1957 10.320 48.560 12.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7449 ATOM 7445 OW SOL 1958 15.260 50.850 16.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7450 ATOM 7446 HW1 SOL 1958 15.360 49.920 15.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7451 ATOM 7447 HW2 SOL 1958 15.860 51.460 15.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7452 ATOM 7448 OW SOL 1959 12.220 49.320 9.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7453 ATOM 7449 HW1 SOL 1959 11.350 48.960 9.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7454 ATOM 7450 HW2 SOL 1959 12.190 49.390 8.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7455 ATOM 7451 OW SOL 1960 16.630 47.160 10.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7456 ATOM 7452 HW1 SOL 1960 16.780 48.090 10.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7457 ATOM 7453 HW2 SOL 1960 15.650 46.970 10.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7458 ATOM 7454 OW SOL 1961 9.480 34.890 13.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7459 ATOM 7455 HW1 SOL 1961 9.770 35.280 12.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7460 ATOM 7456 HW2 SOL 1961 9.630 35.540 13.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7461 ATOM 7457 OW SOL 1962 10.290 47.110 16.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7462 ATOM 7458 HW1 SOL 1962 9.630 47.440 16.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7463 ATOM 7459 HW2 SOL 1962 9.920 46.290 15.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7464 ATOM 7460 OW SOL 1963 6.920 45.590 3.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7465 ATOM 7461 HW1 SOL 1963 7.200 46.300 4.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7466 ATOM 7462 HW2 SOL 1963 7.700 44.990 3.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7467 ATOM 7463 OW SOL 1964 4.990 42.260 12.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7468 ATOM 7464 HW1 SOL 1964 5.570 41.570 12.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7469 ATOM 7465 HW2 SOL 1964 4.580 41.890 11.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7470 ATOM 7466 OW SOL 1965 13.980 39.310 12.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7471 ATOM 7467 HW1 SOL 1965 14.670 40.010 11.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7472 ATOM 7468 HW2 SOL 1965 13.070 39.730 12.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7473 ATOM 7469 OW SOL 1966 0.790 51.910 13.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7474 ATOM 7470 HW1 SOL 1966 1.400 52.020 12.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7475 ATOM 7471 HW2 SOL 1966 1.310 52.070 14.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7476 ATOM 7472 OW SOL 1967 2.130 46.560 4.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7477 ATOM 7473 HW1 SOL 1967 2.850 47.210 4.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7478 ATOM 7474 HW2 SOL 1967 2.540 45.680 5.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7479 ATOM 7475 OW SOL 1968 5.790 40.180 7.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7480 ATOM 7476 HW1 SOL 1968 6.510 40.570 6.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7481 ATOM 7477 HW2 SOL 1968 6.190 39.500 8.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7482 ATOM 7478 OW SOL 1969 13.690 48.870 4.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7483 ATOM 7479 HW1 SOL 1969 13.310 49.710 4.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7484 ATOM 7480 HW2 SOL 1969 14.690 48.940 4.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7485 ATOM 7481 OW SOL 1970 14.820 50.780 9.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7486 ATOM 7482 HW1 SOL 1970 15.400 50.440 10.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7487 ATOM 7483 HW2 SOL 1970 14.120 50.110 9.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7488 ATOM 7484 OW SOL 1971 16.450 42.780 5.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7489 ATOM 7485 HW1 SOL 1971 16.380 43.680 4.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7490 ATOM 7486 HW2 SOL 1971 16.690 42.880 6.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7491 ATOM 7487 OW SOL 1972 4.650 50.970 11.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7492 ATOM 7488 HW1 SOL 1972 4.820 51.150 10.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7493 ATOM 7489 HW2 SOL 1972 5.210 51.570 12.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7494 ATOM 7490 OW SOL 1973 5.160 43.190 16.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7495 ATOM 7491 HW1 SOL 1973 4.410 43.300 16.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7496 ATOM 7492 HW2 SOL 1973 5.920 42.700 16.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7497 ATOM 7493 OW SOL 1974 15.900 44.720 16.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7498 ATOM 7494 HW1 SOL 1974 14.990 45.120 16.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7499 ATOM 7495 HW2 SOL 1974 16.560 45.170 15.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7500 ATOM 7496 OW SOL 1975 9.930 37.760 19.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7501 ATOM 7497 HW1 SOL 1975 10.450 38.570 18.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7502 ATOM 7498 HW2 SOL 1975 10.470 37.180 19.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7503 ATOM 7499 OW SOL 1976 5.380 37.310 17.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7504 ATOM 7500 HW1 SOL 1976 5.650 36.350 17.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7505 ATOM 7501 HW2 SOL 1976 5.020 37.550 18.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7506 ATOM 7502 OW SOL 1977 6.840 44.250 11.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7507 ATOM 7503 HW1 SOL 1977 6.700 44.730 10.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7508 ATOM 7504 HW2 SOL 1977 6.270 43.430 11.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7509 ATOM 7505 OW SOL 1978 11.840 45.720 11.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7510 ATOM 7506 HW1 SOL 1978 11.510 45.500 12.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7511 ATOM 7507 HW2 SOL 1978 11.380 45.140 10.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7512 ATOM 7508 OW SOL 1979 12.140 41.400 3.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7513 ATOM 7509 HW1 SOL 1979 12.790 40.670 3.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7514 ATOM 7510 HW2 SOL 1979 12.460 42.250 4.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7515 ATOM 7511 OW SOL 1980 2.140 38.070 12.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7516 ATOM 7512 HW1 SOL 1980 2.460 38.030 13.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7517 ATOM 7513 HW2 SOL 1980 2.200 37.160 12.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7518 ATOM 7514 OW SOL 1981 1.030 48.320 13.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7519 ATOM 7515 HW1 SOL 1981 1.870 47.860 13.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7520 ATOM 7516 HW2 SOL 1981 1.120 49.300 13.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7521 ATOM 7517 OW SOL 1982 7.630 40.420 10.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7522 ATOM 7518 HW1 SOL 1982 7.130 41.070 9.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7523 ATOM 7519 HW2 SOL 1982 8.370 40.910 10.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7524 ATOM 7520 OW SOL 1983 17.260 45.830 18.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7525 ATOM 7521 HW1 SOL 1983 16.640 45.500 18.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7526 ATOM 7522 HW2 SOL 1983 16.730 46.210 19.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7527 ATOM 7523 OW SOL 1984 4.190 36.780 6.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7528 ATOM 7524 HW1 SOL 1984 3.430 37.240 6.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7529 ATOM 7525 HW2 SOL 1984 4.540 36.040 7.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7530 ATOM 7526 OW SOL 1985 17.590 41.650 3.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7531 ATOM 7527 HW1 SOL 1985 17.540 40.660 3.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7532 ATOM 7528 HW2 SOL 1985 17.230 42.100 4.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7533 ATOM 7529 OW SOL 1986 10.250 44.020 9.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7534 ATOM 7530 HW1 SOL 1986 9.790 43.620 10.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7535 ATOM 7531 HW2 SOL 1986 10.690 43.290 9.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7536 ATOM 7532 OW SOL 1987 8.400 51.610 16.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7537 ATOM 7533 HW1 SOL 1987 8.690 51.880 15.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7538 ATOM 7534 HW2 SOL 1987 7.500 51.990 16.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7539 ATOM 7535 OW SOL 1988 16.950 52.040 14.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7540 ATOM 7536 HW1 SOL 1988 16.350 52.660 14.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7541 ATOM 7537 HW2 SOL 1988 17.830 52.480 14.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7542 ATOM 7538 OW SOL 1989 5.680 44.910 19.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7543 ATOM 7539 HW1 SOL 1989 6.620 45.200 18.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7544 ATOM 7540 HW2 SOL 1989 5.380 44.330 18.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7545 ATOM 7541 OW SOL 1990 16.730 40.690 0.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7546 ATOM 7542 HW1 SOL 1990 16.340 39.820 1.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7547 ATOM 7543 HW2 SOL 1990 17.210 41.120 1.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7548 ATOM 7544 OW SOL 1991 14.870 44.320 71.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7549 ATOM 7545 HW1 SOL 1991 14.150 43.740 72.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7550 ATOM 7546 HW2 SOL 1991 14.570 44.640 70.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7551 ATOM 7547 OW SOL 1992 9.800 50.040 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7552 ATOM 7548 HW1 SOL 1992 10.300 49.180 7.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7553 ATOM 7549 HW2 SOL 1992 10.440 50.790 6.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7554 ATOM 7550 OW SOL 1993 3.030 41.730 9.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7555 ATOM 7551 HW1 SOL 1993 3.430 41.110 8.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7556 ATOM 7552 HW2 SOL 1993 2.370 41.230 10.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7557 ATOM 7553 OW SOL 1994 3.210 40.380 7.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7558 ATOM 7554 HW1 SOL 1994 2.870 39.460 7.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7559 ATOM 7555 HW2 SOL 1994 4.210 40.370 7.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7560 ATOM 7556 OW SOL 1995 11.400 40.280 19.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7561 ATOM 7557 HW1 SOL 1995 11.680 41.100 18.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7562 ATOM 7558 HW2 SOL 1995 11.580 40.390 20.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7563 ATOM 7559 OW SOL 1996 11.080 38.960 14.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7564 ATOM 7560 HW1 SOL 1996 10.650 39.650 15.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7565 ATOM 7561 HW2 SOL 1996 11.380 39.390 13.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7566 ATOM 7562 OW SOL 1997 69.850 50.730 2.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7567 ATOM 7563 HW1 SOL 1997 69.340 50.150 1.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7568 ATOM 7564 HW2 SOL 1997 69.220 51.340 2.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7569 ATOM 7565 OW SOL 1998 1.100 53.050 8.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7570 ATOM 7566 HW1 SOL 1998 1.130 52.140 8.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7571 ATOM 7567 HW2 SOL 1998 2.000 53.470 8.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7572 ATOM 7568 OW SOL 1999 4.820 50.890 8.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7573 ATOM 7569 HW1 SOL 1999 4.430 50.920 8.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7574 ATOM 7570 HW2 SOL 1999 5.580 50.250 8.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7575 ATOM 7571 OW SOL 2000 9.270 42.660 11.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7576 ATOM 7572 HW1 SOL 2000 9.560 42.660 12.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7577 ATOM 7573 HW2 SOL 2000 8.490 43.270 11.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7578 ATOM 7574 OW SOL 2001 0.660 42.620 11.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7579 ATOM 7575 HW1 SOL 2001 1.590 42.940 11.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7580 ATOM 7576 HW2 SOL 2001 0.690 41.730 11.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7581 ATOM 7577 OW SOL 2002 2.890 41.180 16.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7582 ATOM 7578 HW1 SOL 2002 2.030 40.670 16.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7583 ATOM 7579 HW2 SOL 2002 3.360 41.170 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7584 ATOM 7580 OW SOL 2003 13.250 45.710 16.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7585 ATOM 7581 HW1 SOL 2003 12.350 46.140 16.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7586 ATOM 7582 HW2 SOL 2003 13.480 45.680 15.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7587 ATOM 7583 OW SOL 2004 6.720 42.710 5.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7588 ATOM 7584 HW1 SOL 2004 6.500 42.210 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7589 ATOM 7585 HW2 SOL 2004 6.180 43.550 5.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7590 ATOM 7586 OW SOL 2005 15.710 41.690 11.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7591 ATOM 7587 HW1 SOL 2005 15.030 42.420 11.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7592 ATOM 7588 HW2 SOL 2005 16.530 42.010 11.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7593 ATOM 7589 OW SOL 2006 2.270 52.670 15.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7594 ATOM 7590 HW1 SOL 2006 1.980 53.100 16.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7595 ATOM 7591 HW2 SOL 2006 3.210 52.350 15.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7596 ATOM 7592 OW SOL 2007 6.610 38.120 9.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7597 ATOM 7593 HW1 SOL 2007 6.080 37.610 10.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7598 ATOM 7594 HW2 SOL 2007 6.960 38.960 9.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7599 ATOM 7595 OW SOL 2008 8.920 52.420 14.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7600 ATOM 7596 HW1 SOL 2008 8.270 51.840 13.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7601 ATOM 7597 HW2 SOL 2008 9.190 53.190 13.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7602 ATOM 7598 OW SOL 2009 3.300 43.000 1.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7603 ATOM 7599 HW1 SOL 2009 3.630 43.650 2.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7604 ATOM 7600 HW2 SOL 2009 2.320 43.140 1.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7605 ATOM 7601 OW SOL 2010 3.250 47.180 14.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7606 ATOM 7602 HW1 SOL 2010 3.770 46.980 15.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7607 ATOM 7603 HW2 SOL 2010 3.390 46.450 13.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7608 ATOM 7604 OW SOL 2011 14.050 47.120 10.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7609 ATOM 7605 HW1 SOL 2011 13.140 46.820 10.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7610 ATOM 7606 HW2 SOL 2011 14.010 48.070 10.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7611 ATOM 7607 OW SOL 2012 16.240 45.470 3.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7612 ATOM 7608 HW1 SOL 2012 15.330 45.870 3.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7613 ATOM 7609 HW2 SOL 2012 16.490 44.980 2.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7614 ATOM 7610 OW SOL 2013 16.680 55.210 11.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7615 ATOM 7611 HW1 SOL 2013 17.510 54.830 11.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7616 ATOM 7612 HW2 SOL 2013 16.050 55.500 11.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7617 ATOM 7613 OW SOL 2014 13.150 52.950 9.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7618 ATOM 7614 HW1 SOL 2014 13.680 53.780 9.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7619 ATOM 7615 HW2 SOL 2014 13.760 52.170 9.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7620 ATOM 7616 OW SOL 2015 0.830 48.110 10.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7621 ATOM 7617 HW1 SOL 2015 0.340 47.890 11.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7622 ATOM 7618 HW2 SOL 2015 0.760 47.350 10.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7623 ATOM 7619 OW SOL 2016 6.810 54.870 15.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7624 ATOM 7620 HW1 SOL 2016 6.710 55.660 16.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7625 ATOM 7621 HW2 SOL 2016 7.240 55.160 14.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7626 ATOM 7622 OW SOL 2017 9.960 39.820 0.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7627 ATOM 7623 HW1 SOL 2017 10.760 40.350 -0.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7628 ATOM 7624 HW2 SOL 2017 10.190 38.850 0.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7629 ATOM 7625 OW SOL 2018 17.620 38.950 4.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7630 ATOM 7626 HW1 SOL 2018 17.890 38.650 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7631 ATOM 7627 HW2 SOL 2018 17.260 38.170 4.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7632 ATOM 7628 OW SOL 2019 13.730 51.680 3.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7633 ATOM 7629 HW1 SOL 2019 14.480 52.010 3.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7634 ATOM 7630 HW2 SOL 2019 13.310 52.450 4.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7635 ATOM 7631 OW SOL 2020 0.730 53.840 17.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7636 ATOM 7632 HW1 SOL 2020 -0.230 53.760 17.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7637 ATOM 7633 HW2 SOL 2020 1.210 54.420 18.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7638 ATOM 7634 OW SOL 2021 13.840 46.340 6.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7639 ATOM 7635 HW1 SOL 2021 14.760 46.270 6.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7640 ATOM 7636 HW2 SOL 2021 13.870 46.830 5.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7641 ATOM 7637 OW SOL 2022 7.490 48.560 13.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7642 ATOM 7638 HW1 SOL 2022 6.580 48.860 13.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7643 ATOM 7639 HW2 SOL 2022 7.800 49.160 12.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7644 ATOM 7640 OW SOL 2023 5.810 51.460 2.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7645 ATOM 7641 HW1 SOL 2023 6.300 51.660 1.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7646 ATOM 7642 HW2 SOL 2023 4.860 51.760 2.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7647 ATOM 7643 OW SOL 2024 15.310 53.620 13.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7648 ATOM 7644 HW1 SOL 2024 15.850 54.160 12.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7649 ATOM 7645 HW2 SOL 2024 14.870 54.230 13.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7650 ATOM 7646 OW SOL 2025 17.370 38.700 7.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7651 ATOM 7647 HW1 SOL 2025 17.730 37.770 7.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7652 ATOM 7648 HW2 SOL 2025 16.460 38.740 7.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7653 ATOM 7649 OW SOL 2026 2.160 37.770 7.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7654 ATOM 7650 HW1 SOL 2026 1.310 37.400 7.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7655 ATOM 7651 HW2 SOL 2026 2.100 37.900 8.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7656 ATOM 7652 OW SOL 2027 12.950 50.300 72.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7657 ATOM 7653 HW1 SOL 2027 12.350 49.520 72.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7658 ATOM 7654 HW2 SOL 2027 12.580 50.800 71.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7659 ATOM 7655 OW SOL 2028 7.870 45.950 13.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7660 ATOM 7656 HW1 SOL 2028 7.350 45.260 13.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7661 ATOM 7657 HW2 SOL 2028 7.670 46.860 13.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7662 ATOM 7658 OW SOL 2029 9.600 44.280 4.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7663 ATOM 7659 HW1 SOL 2029 10.140 45.090 4.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7664 ATOM 7660 HW2 SOL 2029 9.880 43.520 4.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7665 ATOM 7661 OW SOL 2030 14.530 52.060 1.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7666 ATOM 7662 HW1 SOL 2030 14.020 51.430 0.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7667 ATOM 7663 HW2 SOL 2030 15.390 52.320 0.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7668 ATOM 7664 OW SOL 2031 4.890 49.450 13.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7669 ATOM 7665 HW1 SOL 2031 4.690 49.960 13.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7670 ATOM 7666 HW2 SOL 2031 4.240 48.700 13.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7671 ATOM 7667 OW SOL 2032 16.010 49.740 12.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7672 ATOM 7668 HW1 SOL 2032 16.890 49.820 12.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7673 ATOM 7669 HW2 SOL 2032 15.340 50.330 12.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7674 ATOM 7670 OW SOL 2033 11.400 47.790 7.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7675 ATOM 7671 HW1 SOL 2033 10.850 47.060 7.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7676 ATOM 7672 HW2 SOL 2033 12.290 47.420 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7677 ATOM 7673 OW SOL 2034 9.360 37.720 8.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7678 ATOM 7674 HW1 SOL 2034 9.660 37.480 7.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7679 ATOM 7675 HW2 SOL 2034 8.400 37.450 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7680 ATOM 7676 OW SOL 2035 4.520 50.940 6.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7681 ATOM 7677 HW1 SOL 2035 5.110 50.270 5.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7682 ATOM 7678 HW2 SOL 2035 3.610 50.900 5.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7683 ATOM 7679 OW SOL 2036 18.270 39.640 13.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7684 ATOM 7680 HW1 SOL 2036 18.590 40.590 13.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7685 ATOM 7681 HW2 SOL 2036 18.340 39.280 12.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7686 ATOM 7682 OW SOL 2037 72.170 47.380 4.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7687 ATOM 7683 HW1 SOL 2037 72.120 48.380 4.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7688 ATOM 7684 HW2 SOL 2037 73.100 47.090 4.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7689 ATOM 7685 OW SOL 2038 2.540 47.770 18.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7690 ATOM 7686 HW1 SOL 2038 1.770 47.450 17.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7691 ATOM 7687 HW2 SOL 2038 2.880 47.030 18.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7692 ATOM 7688 OW SOL 2039 9.190 37.020 14.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7693 ATOM 7689 HW1 SOL 2039 9.810 37.790 14.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7694 ATOM 7690 HW2 SOL 2039 8.710 37.100 15.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7695 ATOM 7691 OW SOL 2040 0.140 41.160 0.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7696 ATOM 7692 HW1 SOL 2040 0.100 41.980 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7697 ATOM 7693 HW2 SOL 2040 0.020 41.420 -0.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7698 ATOM 7694 OW SOL 2041 14.360 45.380 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7699 ATOM 7695 HW1 SOL 2041 13.860 46.230 13.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7700 ATOM 7696 HW2 SOL 2041 15.320 45.500 13.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7701 ATOM 7697 OW SOL 2042 2.120 39.120 0.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7702 ATOM 7698 HW1 SOL 2042 1.360 39.770 0.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7703 ATOM 7699 HW2 SOL 2042 2.820 39.440 1.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7704 ATOM 7700 OW SOL 2043 11.000 46.630 4.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7705 ATOM 7701 HW1 SOL 2043 10.400 47.110 3.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7706 ATOM 7702 HW2 SOL 2043 11.590 47.280 4.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7707 ATOM 7703 OW SOL 2044 7.540 44.360 15.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7708 ATOM 7704 HW1 SOL 2044 7.540 45.120 15.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7709 ATOM 7705 HW2 SOL 2044 7.040 43.590 15.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7710 ATOM 7706 OW SOL 2045 14.960 55.410 9.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7711 ATOM 7707 HW1 SOL 2045 15.010 56.350 8.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7712 ATOM 7708 HW2 SOL 2045 14.990 54.770 8.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7713 ATOM 7709 OW SOL 2046 9.850 40.680 16.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7714 ATOM 7710 HW1 SOL 2046 10.520 41.170 16.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7715 ATOM 7711 HW2 SOL 2046 9.410 39.970 16.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7716 ATOM 7712 OW SOL 2047 15.570 48.240 15.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7717 ATOM 7713 HW1 SOL 2047 15.420 48.240 16.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7718 ATOM 7714 HW2 SOL 2047 16.310 47.620 15.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7719 ATOM 7715 OW SOL 2048 2.260 55.100 14.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7720 ATOM 7716 HW1 SOL 2048 2.030 54.220 14.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7721 ATOM 7717 HW2 SOL 2048 1.430 55.580 13.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7722 ATOM 7718 OW SOL 2049 17.050 45.290 12.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7723 ATOM 7719 HW1 SOL 2049 17.380 44.380 12.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7724 ATOM 7720 HW2 SOL 2049 16.950 45.850 11.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7725 ATOM 7721 OW SOL 2050 14.220 39.520 3.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7726 ATOM 7722 HW1 SOL 2050 14.760 38.950 3.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7727 ATOM 7723 HW2 SOL 2050 14.800 39.810 4.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7728 ATOM 7724 OW SOL 2051 6.820 42.630 9.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7729 ATOM 7725 HW1 SOL 2051 6.310 43.460 9.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7730 ATOM 7726 HW2 SOL 2051 6.830 42.500 8.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7731 ATOM 7727 OW SOL 2052 16.150 39.790 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7732 ATOM 7728 HW1 SOL 2052 16.800 39.680 14.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7733 ATOM 7729 HW2 SOL 2052 15.660 38.940 15.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7734 ATOM 7730 OW SOL 2053 17.420 46.560 14.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7735 ATOM 7731 HW1 SOL 2053 18.390 46.790 14.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7736 ATOM 7732 HW2 SOL 2053 17.160 46.200 13.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7737 ATOM 7733 OW SOL 2054 9.590 48.070 2.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7738 ATOM 7734 HW1 SOL 2054 9.410 48.810 3.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7739 ATOM 7735 HW2 SOL 2054 8.870 48.050 1.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7740 ATOM 7736 OW SOL 2055 7.070 53.590 10.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7741 ATOM 7737 HW1 SOL 2055 6.430 54.360 10.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7742 ATOM 7738 HW2 SOL 2055 7.430 53.440 9.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7743 ATOM 7739 OW SOL 2056 9.520 46.100 7.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7744 ATOM 7740 HW1 SOL 2056 9.690 45.250 8.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7745 ATOM 7741 HW2 SOL 2056 9.030 46.740 8.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7746 ATOM 7742 OW SOL 2057 12.670 45.980 0.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7747 ATOM 7743 HW1 SOL 2057 11.910 45.330 0.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7748 ATOM 7744 HW2 SOL 2057 13.370 45.660 -0.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7749 ATOM 7745 OW SOL 2058 18.890 54.570 6.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7750 ATOM 7746 HW1 SOL 2058 18.010 54.860 5.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7751 ATOM 7747 HW2 SOL 2058 19.480 54.260 5.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7752 ATOM 7748 OW SOL 2059 2.740 50.450 18.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7753 ATOM 7749 HW1 SOL 2059 2.700 49.450 17.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7754 ATOM 7750 HW2 SOL 2059 2.600 50.780 18.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7755 ATOM 7751 OW SOL 2060 1.340 48.550 6.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7756 ATOM 7752 HW1 SOL 2060 0.570 48.610 7.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7757 ATOM 7753 HW2 SOL 2060 1.280 47.690 6.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7758 ATOM 7754 OW SOL 2061 5.980 52.870 17.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7759 ATOM 7755 HW1 SOL 2061 5.380 52.230 16.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7760 ATOM 7756 HW2 SOL 2061 6.310 53.560 16.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7761 ATOM 7757 OW SOL 2062 18.110 38.410 11.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7762 ATOM 7758 HW1 SOL 2062 17.580 37.560 11.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7763 ATOM 7759 HW2 SOL 2062 17.870 38.980 10.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7764 ATOM 7760 OW SOL 2063 0.930 42.570 4.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7765 ATOM 7761 HW1 SOL 2063 1.650 41.880 4.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7766 ATOM 7762 HW2 SOL 2063 0.030 42.130 4.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7767 ATOM 7763 OW SOL 2064 18.350 52.470 8.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7768 ATOM 7764 HW1 SOL 2064 18.450 53.200 7.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7769 ATOM 7765 HW2 SOL 2064 17.500 51.970 7.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7770 ATOM 7766 OW SOL 2065 5.250 39.890 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7771 ATOM 7767 HW1 SOL 2065 4.450 39.580 14.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7772 ATOM 7768 HW2 SOL 2065 5.770 39.090 13.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7773 ATOM 7769 OW SOL 2066 6.140 52.990 6.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7774 ATOM 7770 HW1 SOL 2066 6.560 53.640 6.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7775 ATOM 7771 HW2 SOL 2066 5.640 52.300 6.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7776 ATOM 7772 OW SOL 2067 13.150 38.270 9.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7777 ATOM 7773 HW1 SOL 2067 12.720 37.380 9.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7778 ATOM 7774 HW2 SOL 2067 13.350 38.730 10.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7779 ATOM 7775 OW SOL 2068 10.590 36.020 10.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7780 ATOM 7776 HW1 SOL 2068 10.090 36.540 10.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7781 ATOM 7777 HW2 SOL 2068 11.230 35.400 10.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7782 ATOM 7778 OW SOL 2069 6.250 49.010 4.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7783 ATOM 7779 HW1 SOL 2069 6.800 48.240 5.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7784 ATOM 7780 HW2 SOL 2069 6.740 49.490 4.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7785 ATOM 7781 OW SOL 2070 8.060 51.080 11.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7786 ATOM 7782 HW1 SOL 2070 7.440 51.820 11.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7787 ATOM 7783 HW2 SOL 2070 8.980 51.290 11.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7788 ATOM 7784 OW SOL 2071 13.410 36.840 0.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7789 ATOM 7785 HW1 SOL 2071 13.380 36.100 1.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7790 ATOM 7786 HW2 SOL 2071 12.500 37.270 0.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7791 ATOM 7787 OW SOL 2072 13.280 42.020 7.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7792 ATOM 7788 HW1 SOL 2072 13.590 42.780 7.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7793 ATOM 7789 HW2 SOL 2072 12.340 41.780 7.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7794 ATOM 7790 OW SOL 2073 14.670 38.120 7.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7795 ATOM 7791 HW1 SOL 2073 14.350 38.150 8.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7796 ATOM 7792 HW2 SOL 2073 14.720 39.050 7.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7797 ATOM 7793 OW SOL 2074 70.020 45.200 4.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7798 ATOM 7794 HW1 SOL 2074 70.680 45.950 4.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7799 ATOM 7795 HW2 SOL 2074 70.130 44.780 5.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7800 ATOM 7796 OW SOL 2075 8.260 52.960 3.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7801 ATOM 7797 HW1 SOL 2075 7.430 52.410 3.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7802 ATOM 7798 HW2 SOL 2075 8.130 53.830 4.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7803 ATOM 7799 OW SOL 2076 4.140 41.010 18.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7804 ATOM 7800 HW1 SOL 2076 3.550 41.400 19.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7805 ATOM 7801 HW2 SOL 2076 4.810 41.690 18.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7806 ATOM 7802 OW SOL 2077 71.010 40.790 30.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7807 ATOM 7803 HW1 SOL 2077 71.510 40.130 30.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7808 ATOM 7804 HW2 SOL 2077 70.670 40.330 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7809 ATOM 7805 OW SOL 2078 0.220 39.030 24.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7810 ATOM 7806 HW1 SOL 2078 -0.240 38.150 24.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7811 ATOM 7807 HW2 SOL 2078 -0.360 39.730 24.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7812 ATOM 7808 OW SOL 2079 5.440 50.180 28.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7813 ATOM 7809 HW1 SOL 2079 4.820 50.370 27.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7814 ATOM 7810 HW2 SOL 2079 5.830 51.030 29.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7815 ATOM 7811 OW SOL 2080 15.830 53.180 23.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7816 ATOM 7812 HW1 SOL 2080 15.390 53.040 24.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7817 ATOM 7813 HW2 SOL 2080 15.370 52.630 23.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7818 ATOM 7814 OW SOL 2081 10.030 48.590 23.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7819 ATOM 7815 HW1 SOL 2081 9.600 47.940 24.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7820 ATOM 7816 HW2 SOL 2081 10.690 49.150 24.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7821 ATOM 7817 OW SOL 2082 18.850 43.170 19.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7822 ATOM 7818 HW1 SOL 2082 18.470 44.080 19.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7823 ATOM 7819 HW2 SOL 2082 18.170 42.480 19.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7824 ATOM 7820 OW SOL 2083 7.100 48.780 30.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7825 ATOM 7821 HW1 SOL 2083 6.350 49.090 29.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7826 ATOM 7822 HW2 SOL 2083 7.960 49.180 30.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7827 ATOM 7823 OW SOL 2084 10.970 44.270 36.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7828 ATOM 7824 HW1 SOL 2084 10.970 44.740 37.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7829 ATOM 7825 HW2 SOL 2084 10.470 44.820 35.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7830 ATOM 7826 OW SOL 2085 8.810 46.360 25.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7831 ATOM 7827 HW1 SOL 2085 8.880 45.930 26.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7832 ATOM 7828 HW2 SOL 2085 7.850 46.570 25.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7833 ATOM 7829 OW SOL 2086 9.740 48.630 34.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7834 ATOM 7830 HW1 SOL 2086 9.710 49.250 35.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7835 ATOM 7831 HW2 SOL 2086 9.090 48.930 33.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7836 ATOM 7832 OW SOL 2087 3.910 50.690 26.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7837 ATOM 7833 HW1 SOL 2087 2.980 51.060 26.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7838 ATOM 7834 HW2 SOL 2087 4.450 51.160 25.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7839 ATOM 7835 OW SOL 2088 13.530 53.830 31.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7840 ATOM 7836 HW1 SOL 2088 14.530 53.800 31.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7841 ATOM 7837 HW2 SOL 2088 13.260 54.600 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7842 ATOM 7838 OW SOL 2089 3.870 40.280 32.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7843 ATOM 7839 HW1 SOL 2089 4.590 39.750 32.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7844 ATOM 7840 HW2 SOL 2089 4.060 40.330 33.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7845 ATOM 7841 OW SOL 2090 15.720 40.090 24.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7846 ATOM 7842 HW1 SOL 2090 15.180 39.780 24.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7847 ATOM 7843 HW2 SOL 2090 16.360 40.800 24.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7848 ATOM 7844 OW SOL 2091 2.090 54.860 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7849 ATOM 7845 HW1 SOL 2091 2.690 54.150 22.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7850 ATOM 7846 HW2 SOL 2091 1.230 54.440 23.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7851 ATOM 7847 OW SOL 2092 11.450 50.180 33.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7852 ATOM 7848 HW1 SOL 2092 10.980 49.950 32.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7853 ATOM 7849 HW2 SOL 2092 11.070 49.650 33.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7854 ATOM 7850 OW SOL 2093 1.030 51.340 22.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7855 ATOM 7851 HW1 SOL 2093 0.490 50.640 21.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7856 ATOM 7852 HW2 SOL 2093 0.470 51.760 23.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7857 ATOM 7853 OW SOL 2094 4.080 47.850 26.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7858 ATOM 7854 HW1 SOL 2094 4.080 47.230 27.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7859 ATOM 7855 HW2 SOL 2094 4.170 48.790 26.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7860 ATOM 7856 OW SOL 2095 7.430 55.140 32.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7861 ATOM 7857 HW1 SOL 2095 6.500 54.830 32.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7862 ATOM 7858 HW2 SOL 2095 7.530 56.080 32.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7863 ATOM 7859 OW SOL 2096 8.570 46.190 19.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7864 ATOM 7860 HW1 SOL 2096 8.550 47.050 18.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7865 ATOM 7861 HW2 SOL 2096 9.010 46.340 20.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7866 ATOM 7862 OW SOL 2097 14.610 37.040 33.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7867 ATOM 7863 HW1 SOL 2097 15.220 37.610 34.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7868 ATOM 7864 HW2 SOL 2097 13.920 37.620 33.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7869 ATOM 7865 OW SOL 2098 2.050 44.780 24.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7870 ATOM 7866 HW1 SOL 2098 2.380 44.550 25.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7871 ATOM 7867 HW2 SOL 2098 2.100 45.770 24.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7872 ATOM 7868 OW SOL 2099 18.990 54.330 20.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7873 ATOM 7869 HW1 SOL 2099 19.600 54.090 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7874 ATOM 7870 HW2 SOL 2099 19.400 55.050 19.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7875 ATOM 7871 OW SOL 2100 72.430 50.530 17.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7876 ATOM 7872 HW1 SOL 2100 72.300 49.620 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7877 ATOM 7873 HW2 SOL 2100 73.290 50.920 18.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7878 ATOM 7874 OW SOL 2101 17.540 45.220 23.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7879 ATOM 7875 HW1 SOL 2101 18.270 44.690 23.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7880 ATOM 7876 HW2 SOL 2101 17.520 46.140 23.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7881 ATOM 7877 OW SOL 2102 17.980 47.720 22.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7882 ATOM 7878 HW1 SOL 2102 18.940 47.590 22.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7883 ATOM 7879 HW2 SOL 2102 17.890 48.480 23.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7884 ATOM 7880 OW SOL 2103 3.460 44.790 33.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7885 ATOM 7881 HW1 SOL 2103 4.140 44.930 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7886 ATOM 7882 HW2 SOL 2103 3.100 45.680 32.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7887 ATOM 7883 OW SOL 2104 7.640 50.350 26.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7888 ATOM 7884 HW1 SOL 2104 7.290 49.520 25.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7889 ATOM 7885 HW2 SOL 2104 7.070 51.130 25.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7890 ATOM 7886 OW SOL 2105 13.080 49.410 30.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7891 ATOM 7887 HW1 SOL 2105 13.390 48.550 30.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7892 ATOM 7888 HW2 SOL 2105 13.730 49.700 31.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7893 ATOM 7889 OW SOL 2106 7.820 37.430 24.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7894 ATOM 7890 HW1 SOL 2106 8.570 37.790 23.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7895 ATOM 7891 HW2 SOL 2106 7.050 37.190 23.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7896 ATOM 7892 OW SOL 2107 2.020 46.580 31.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7897 ATOM 7893 HW1 SOL 2107 2.500 47.140 31.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7898 ATOM 7894 HW2 SOL 2107 1.860 45.660 31.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7899 ATOM 7895 OW SOL 2108 15.950 47.300 20.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7900 ATOM 7896 HW1 SOL 2108 15.360 46.710 21.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7901 ATOM 7897 HW2 SOL 2108 16.690 47.650 21.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7902 ATOM 7898 OW SOL 2109 14.070 56.340 34.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7903 ATOM 7899 HW1 SOL 2109 13.830 55.530 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7904 ATOM 7900 HW2 SOL 2109 13.240 56.730 34.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7905 ATOM 7901 OW SOL 2110 3.090 42.300 38.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7906 ATOM 7902 HW1 SOL 2110 3.180 43.110 38.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7907 ATOM 7903 HW2 SOL 2110 2.340 41.730 38.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7908 ATOM 7904 OW SOL 2111 14.670 52.330 25.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7909 ATOM 7905 HW1 SOL 2111 14.950 52.470 26.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7910 ATOM 7906 HW2 SOL 2111 14.750 51.370 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7911 ATOM 7907 OW SOL 2112 16.220 55.560 22.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7912 ATOM 7908 HW1 SOL 2112 16.340 54.600 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7913 ATOM 7909 HW2 SOL 2112 16.110 55.620 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7914 ATOM 7910 OW SOL 2113 6.440 42.860 22.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7915 ATOM 7911 HW1 SOL 2113 6.970 43.710 22.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7916 ATOM 7912 HW2 SOL 2113 5.520 43.020 22.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7917 ATOM 7913 OW SOL 2114 13.830 42.080 26.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7918 ATOM 7914 HW1 SOL 2114 13.090 41.740 27.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7919 ATOM 7915 HW2 SOL 2114 14.360 41.310 26.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7920 ATOM 7916 OW SOL 2115 16.550 53.290 20.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7921 ATOM 7917 HW1 SOL 2115 17.510 53.580 20.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7922 ATOM 7918 HW2 SOL 2115 16.100 53.900 19.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7923 ATOM 7919 OW SOL 2116 8.550 40.070 31.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7924 ATOM 7920 HW1 SOL 2116 8.640 40.140 32.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7925 ATOM 7921 HW2 SOL 2116 7.610 40.310 31.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7926 ATOM 7922 OW SOL 2117 13.530 42.080 34.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7927 ATOM 7923 HW1 SOL 2117 13.680 42.930 35.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7928 ATOM 7924 HW2 SOL 2117 14.400 41.710 34.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7929 ATOM 7925 OW SOL 2118 8.090 43.830 33.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7930 ATOM 7926 HW1 SOL 2118 8.730 43.440 32.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7931 ATOM 7927 HW2 SOL 2118 7.390 44.360 32.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7932 ATOM 7928 OW SOL 2119 10.780 39.270 29.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7933 ATOM 7929 HW1 SOL 2119 10.090 39.700 30.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7934 ATOM 7930 HW2 SOL 2119 10.640 38.280 29.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7935 ATOM 7931 OW SOL 2120 11.370 44.500 23.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7936 ATOM 7932 HW1 SOL 2120 11.010 45.410 23.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7937 ATOM 7933 HW2 SOL 2120 10.620 43.880 23.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7938 ATOM 7934 OW SOL 2121 2.050 47.700 24.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7939 ATOM 7935 HW1 SOL 2121 2.840 47.720 25.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7940 ATOM 7936 HW2 SOL 2121 1.490 48.510 24.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7941 ATOM 7937 OW SOL 2122 2.600 55.840 36.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7942 ATOM 7938 HW1 SOL 2122 2.580 54.980 35.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7943 ATOM 7939 HW2 SOL 2122 2.120 55.720 36.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7944 ATOM 7940 OW SOL 2123 8.380 39.200 21.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7945 ATOM 7941 HW1 SOL 2123 8.560 38.870 20.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7946 ATOM 7942 HW2 SOL 2123 7.430 39.010 21.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7947 ATOM 7943 OW SOL 2124 16.980 43.520 35.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7948 ATOM 7944 HW1 SOL 2124 17.450 44.100 34.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7949 ATOM 7945 HW2 SOL 2124 16.740 42.650 34.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7950 ATOM 7946 OW SOL 2125 13.310 48.370 22.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7951 ATOM 7947 HW1 SOL 2125 13.380 47.550 22.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7952 ATOM 7948 HW2 SOL 2125 13.130 49.160 22.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7953 ATOM 7949 OW SOL 2126 6.520 37.020 27.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7954 ATOM 7950 HW1 SOL 2126 5.990 37.670 27.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7955 ATOM 7951 HW2 SOL 2126 7.190 37.510 26.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7956 ATOM 7952 OW SOL 2127 11.500 50.560 24.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7957 ATOM 7953 HW1 SOL 2127 11.780 51.520 24.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7958 ATOM 7954 HW2 SOL 2127 11.780 50.090 25.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7959 ATOM 7955 OW SOL 2128 3.510 55.280 27.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7960 ATOM 7956 HW1 SOL 2128 4.200 54.580 27.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7961 ATOM 7957 HW2 SOL 2128 3.590 55.550 28.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7962 ATOM 7958 OW SOL 2129 11.510 55.770 33.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7963 ATOM 7959 HW1 SOL 2129 11.310 54.970 32.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7964 ATOM 7960 HW2 SOL 2129 10.850 56.490 32.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7965 ATOM 7961 OW SOL 2130 3.570 45.310 20.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7966 ATOM 7962 HW1 SOL 2130 4.310 45.200 20.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7967 ATOM 7963 HW2 SOL 2130 3.670 44.640 21.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7968 ATOM 7964 OW SOL 2131 15.420 45.550 25.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7969 ATOM 7965 HW1 SOL 2131 15.440 44.920 26.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7970 ATOM 7966 HW2 SOL 2131 16.170 45.330 24.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7971 ATOM 7967 OW SOL 2132 7.510 49.590 33.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7972 ATOM 7968 HW1 SOL 2132 7.510 48.920 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7973 ATOM 7969 HW2 SOL 2132 7.400 50.510 32.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7974 ATOM 7970 OW SOL 2133 11.130 54.010 20.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7975 ATOM 7971 HW1 SOL 2133 10.540 54.000 21.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7976 ATOM 7972 HW2 SOL 2133 10.790 53.360 19.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7977 ATOM 7973 OW SOL 2134 0.810 40.890 34.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7978 ATOM 7974 HW1 SOL 2134 0.800 40.700 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7979 ATOM 7975 HW2 SOL 2134 0.730 40.030 34.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7980 ATOM 7976 OW SOL 2135 17.480 50.470 18.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7981 ATOM 7977 HW1 SOL 2135 17.120 50.740 17.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7982 ATOM 7978 HW2 SOL 2135 16.780 49.960 18.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7983 ATOM 7979 OW SOL 2136 4.090 54.050 20.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7984 ATOM 7980 HW1 SOL 2136 4.510 54.580 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7985 ATOM 7981 HW2 SOL 2136 4.800 53.520 19.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7986 ATOM 7982 OW SOL 2137 14.200 39.670 22.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7987 ATOM 7983 HW1 SOL 2137 14.000 38.790 22.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7988 ATOM 7984 HW2 SOL 2137 14.630 40.280 22.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7989 ATOM 7985 OW SOL 2138 3.080 52.340 32.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7990 ATOM 7986 HW1 SOL 2138 3.110 52.530 31.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7991 ATOM 7987 HW2 SOL 2138 2.200 51.950 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7992 ATOM 7988 OW SOL 2139 11.760 53.940 27.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7993 ATOM 7989 HW1 SOL 2139 11.580 53.630 26.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7994 ATOM 7990 HW2 SOL 2139 11.810 53.150 28.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7995 ATOM 7991 OW SOL 2140 3.890 43.440 22.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7996 ATOM 7992 HW1 SOL 2140 3.620 42.480 22.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7997 ATOM 7993 HW2 SOL 2140 3.350 43.990 23.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7998 ATOM 7994 OW SOL 2141 15.680 38.860 35.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
7999 ATOM 7995 HW1 SOL 2141 15.230 38.900 36.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8000 ATOM 7996 HW2 SOL 2141 16.670 38.760 35.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8001 ATOM 7997 OW SOL 2142 7.700 36.080 19.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8002 ATOM 7998 HW1 SOL 2142 8.480 36.690 19.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8003 ATOM 7999 HW2 SOL 2142 7.550 35.680 18.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8004 ATOM 8000 OW SOL 2143 8.810 37.870 35.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8005 ATOM 8001 HW1 SOL 2143 9.280 37.010 35.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8006 ATOM 8002 HW2 SOL 2143 8.210 38.110 36.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8007 ATOM 8003 OW SOL 2144 9.260 51.660 30.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8008 ATOM 8004 HW1 SOL 2144 9.430 51.820 29.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8009 ATOM 8005 HW2 SOL 2144 9.860 50.940 30.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8010 ATOM 8006 OW SOL 2145 12.630 42.660 32.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8011 ATOM 8007 HW1 SOL 2145 13.010 42.480 32.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8012 ATOM 8008 HW2 SOL 2145 12.650 43.650 31.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8013 ATOM 8009 OW SOL 2146 9.580 51.470 27.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8014 ATOM 8010 HW1 SOL 2146 10.400 50.990 27.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8015 ATOM 8011 HW2 SOL 2146 8.780 51.150 26.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8016 ATOM 8012 OW SOL 2147 10.190 41.850 26.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8017 ATOM 8013 HW1 SOL 2147 9.800 41.910 26.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8018 ATOM 8014 HW2 SOL 2147 10.870 41.120 27.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8019 ATOM 8015 OW SOL 2148 5.610 40.440 24.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8020 ATOM 8016 HW1 SOL 2148 4.850 39.920 24.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8021 ATOM 8017 HW2 SOL 2148 5.520 40.460 23.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8022 ATOM 8018 OW SOL 2149 15.580 48.770 18.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8023 ATOM 8019 HW1 SOL 2149 15.690 48.090 19.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8024 ATOM 8020 HW2 SOL 2149 14.760 49.310 18.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8025 ATOM 8021 OW SOL 2150 2.130 37.440 22.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8026 ATOM 8022 HW1 SOL 2150 2.160 38.100 23.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8027 ATOM 8023 HW2 SOL 2150 2.930 36.850 22.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8028 ATOM 8024 OW SOL 2151 10.360 38.800 23.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8029 ATOM 8025 HW1 SOL 2151 9.810 39.060 22.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8030 ATOM 8026 HW2 SOL 2151 10.910 39.580 23.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8031 ATOM 8027 OW SOL 2152 10.030 43.000 31.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8032 ATOM 8028 HW1 SOL 2152 9.550 42.130 31.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8033 ATOM 8029 HW2 SOL 2152 10.950 42.830 31.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8034 ATOM 8030 OW SOL 2153 12.260 53.150 25.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8035 ATOM 8031 HW1 SOL 2153 12.510 53.930 24.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8036 ATOM 8032 HW2 SOL 2153 13.070 52.790 25.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8037 ATOM 8033 OW SOL 2154 6.220 47.030 24.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8038 ATOM 8034 HW1 SOL 2154 5.370 47.170 25.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8039 ATOM 8035 HW2 SOL 2154 6.020 47.050 23.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8040 ATOM 8036 OW SOL 2155 12.460 55.950 24.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8041 ATOM 8037 HW1 SOL 2155 11.800 56.170 23.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8042 ATOM 8038 HW2 SOL 2155 12.030 56.030 25.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8043 ATOM 8039 OW SOL 2156 11.790 42.270 17.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8044 ATOM 8040 HW1 SOL 2156 11.190 43.070 17.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8045 ATOM 8041 HW2 SOL 2156 12.630 42.510 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8046 ATOM 8042 OW SOL 2157 1.550 44.220 30.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8047 ATOM 8043 HW1 SOL 2157 1.390 44.070 29.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8048 ATOM 8044 HW2 SOL 2157 2.480 43.940 30.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8049 ATOM 8045 OW SOL 2158 4.850 38.550 29.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8050 ATOM 8046 HW1 SOL 2158 5.030 38.140 30.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8051 ATOM 8047 HW2 SOL 2158 3.880 38.430 28.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8052 ATOM 8048 OW SOL 2159 8.240 41.580 24.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8053 ATOM 8049 HW1 SOL 2159 7.270 41.330 24.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8054 ATOM 8050 HW2 SOL 2159 8.520 41.620 23.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8055 ATOM 8051 OW SOL 2160 11.190 37.820 26.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8056 ATOM 8052 HW1 SOL 2160 10.880 38.140 25.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8057 ATOM 8053 HW2 SOL 2160 10.600 37.080 26.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8058 ATOM 8054 OW SOL 2161 15.090 49.850 24.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8059 ATOM 8055 HW1 SOL 2161 14.500 49.290 24.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8060 ATOM 8056 HW2 SOL 2161 15.950 50.030 24.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8061 ATOM 8057 OW SOL 2162 15.780 43.790 27.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8062 ATOM 8058 HW1 SOL 2162 15.300 43.180 26.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8063 ATOM 8059 HW2 SOL 2162 16.170 43.250 28.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8064 ATOM 8060 OW SOL 2163 19.120 43.410 22.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8065 ATOM 8061 HW1 SOL 2163 20.100 43.500 22.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8066 ATOM 8062 HW2 SOL 2163 18.660 43.120 21.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8067 ATOM 8063 OW SOL 2164 4.810 50.050 20.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8068 ATOM 8064 HW1 SOL 2164 3.990 50.570 20.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8069 ATOM 8065 HW2 SOL 2164 4.550 49.120 20.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8070 ATOM 8066 OW SOL 2165 17.870 50.150 24.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8071 ATOM 8067 HW1 SOL 2165 18.510 49.860 24.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8072 ATOM 8068 HW2 SOL 2165 17.910 51.140 24.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8073 ATOM 8069 OW SOL 2166 13.490 42.930 19.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8074 ATOM 8070 HW1 SOL 2166 12.700 42.790 20.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8075 ATOM 8071 HW2 SOL 2166 13.840 42.050 19.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8076 ATOM 8072 OW SOL 2167 5.900 37.470 21.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8077 ATOM 8073 HW1 SOL 2167 6.340 36.880 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8078 ATOM 8074 HW2 SOL 2167 5.360 38.170 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8079 ATOM 8075 OW SOL 2168 17.290 50.160 34.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8080 ATOM 8076 HW1 SOL 2168 17.440 49.270 34.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8081 ATOM 8077 HW2 SOL 2168 17.950 50.820 34.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8082 ATOM 8078 OW SOL 2169 10.440 49.140 30.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8083 ATOM 8079 HW1 SOL 2169 10.000 48.260 30.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8084 ATOM 8080 HW2 SOL 2169 11.420 49.000 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8085 ATOM 8081 OW SOL 2170 16.380 53.290 33.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8086 ATOM 8082 HW1 SOL 2170 17.110 53.550 32.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8087 ATOM 8083 HW2 SOL 2170 15.960 52.440 32.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8088 ATOM 8084 OW SOL 2171 12.610 52.170 29.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8089 ATOM 8085 HW1 SOL 2171 12.600 51.320 30.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8090 ATOM 8086 HW2 SOL 2171 12.710 52.940 30.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8091 ATOM 8087 OW SOL 2172 15.910 48.370 27.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8092 ATOM 8088 HW1 SOL 2172 15.060 47.860 27.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8093 ATOM 8089 HW2 SOL 2172 15.800 48.920 26.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8094 ATOM 8090 OW SOL 2173 10.370 36.780 32.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8095 ATOM 8091 HW1 SOL 2173 10.480 36.760 31.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8096 ATOM 8092 HW2 SOL 2173 10.960 37.490 33.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8097 ATOM 8093 OW SOL 2174 9.870 45.730 34.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8098 ATOM 8094 HW1 SOL 2174 9.690 46.720 34.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8099 ATOM 8095 HW2 SOL 2174 9.180 45.320 33.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8100 ATOM 8096 OW SOL 2175 8.220 44.950 22.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8101 ATOM 8097 HW1 SOL 2175 7.900 45.080 23.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8102 ATOM 8098 HW2 SOL 2175 9.080 45.440 22.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8103 ATOM 8099 OW SOL 2176 5.240 44.440 31.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8104 ATOM 8100 HW1 SOL 2176 4.720 44.530 32.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8105 ATOM 8101 HW2 SOL 2176 4.780 43.790 30.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8106 ATOM 8102 OW SOL 2177 12.980 40.060 31.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8107 ATOM 8103 HW1 SOL 2177 12.930 41.040 31.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8108 ATOM 8104 HW2 SOL 2177 12.160 39.770 30.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8109 ATOM 8105 OW SOL 2178 71.100 53.200 33.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8110 ATOM 8106 HW1 SOL 2178 70.160 52.940 32.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8111 ATOM 8107 HW2 SOL 2178 71.150 53.550 34.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8112 ATOM 8108 OW SOL 2179 5.830 46.590 22.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8113 ATOM 8109 HW1 SOL 2179 4.900 46.330 21.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8114 ATOM 8110 HW2 SOL 2179 6.490 46.010 21.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8115 ATOM 8111 OW SOL 2180 8.300 39.270 26.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8116 ATOM 8112 HW1 SOL 2180 8.140 40.160 26.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8117 ATOM 8113 HW2 SOL 2180 8.260 38.560 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8118 ATOM 8114 OW SOL 2181 11.990 51.870 22.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8119 ATOM 8115 HW1 SOL 2181 12.950 52.170 22.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8120 ATOM 8116 HW2 SOL 2181 11.770 51.390 23.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8121 ATOM 8117 OW SOL 2182 15.170 52.570 28.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8122 ATOM 8118 HW1 SOL 2182 15.410 53.410 29.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8123 ATOM 8119 HW2 SOL 2182 14.230 52.310 29.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8124 ATOM 8120 OW SOL 2183 16.430 42.200 23.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8125 ATOM 8121 HW1 SOL 2183 15.610 42.770 23.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8126 ATOM 8122 HW2 SOL 2183 17.220 42.770 23.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8127 ATOM 8123 OW SOL 2184 3.210 52.840 30.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8128 ATOM 8124 HW1 SOL 2184 2.750 51.960 30.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8129 ATOM 8125 HW2 SOL 2184 4.100 52.710 29.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8130 ATOM 8126 OW SOL 2185 5.060 45.270 35.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8131 ATOM 8127 HW1 SOL 2185 5.950 44.870 35.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8132 ATOM 8128 HW2 SOL 2185 4.390 45.030 36.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8133 ATOM 8129 OW SOL 2186 18.610 45.370 33.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8134 ATOM 8130 HW1 SOL 2186 18.320 46.220 34.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8135 ATOM 8131 HW2 SOL 2186 18.540 45.460 32.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8136 ATOM 8132 OW SOL 2187 12.690 37.340 36.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8137 ATOM 8133 HW1 SOL 2187 12.280 38.210 36.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8138 ATOM 8134 HW2 SOL 2187 12.390 36.620 36.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8139 ATOM 8135 OW SOL 2188 4.850 40.390 35.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8140 ATOM 8136 HW1 SOL 2188 4.660 39.410 35.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8141 ATOM 8137 HW2 SOL 2188 5.390 40.690 36.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8142 ATOM 8138 OW SOL 2189 4.620 46.100 28.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8143 ATOM 8139 HW1 SOL 2189 4.270 46.640 29.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8144 ATOM 8140 HW2 SOL 2189 5.470 45.650 28.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8145 ATOM 8141 OW SOL 2190 13.770 44.490 29.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8146 ATOM 8142 HW1 SOL 2190 12.930 44.200 29.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8147 ATOM 8143 HW2 SOL 2190 14.490 43.800 29.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8148 ATOM 8144 OW SOL 2191 11.540 41.390 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8149 ATOM 8145 HW1 SOL 2191 11.860 41.210 22.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8150 ATOM 8146 HW2 SOL 2191 10.540 41.410 21.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8151 ATOM 8147 OW SOL 2192 1.320 39.870 31.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8152 ATOM 8148 HW1 SOL 2192 2.190 39.960 31.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8153 ATOM 8149 HW2 SOL 2192 1.290 38.990 30.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8154 ATOM 8150 OW SOL 2193 0.460 51.310 32.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8155 ATOM 8151 HW1 SOL 2193 0.230 50.380 32.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8156 ATOM 8152 HW2 SOL 2193 -0.260 51.940 32.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8157 ATOM 8153 OW SOL 2194 7.970 42.160 28.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8158 ATOM 8154 HW1 SOL 2194 8.800 42.070 28.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8159 ATOM 8155 HW2 SOL 2194 7.190 41.780 28.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8160 ATOM 8156 OW SOL 2195 18.200 47.790 35.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8161 ATOM 8157 HW1 SOL 2195 19.190 47.780 35.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8162 ATOM 8158 HW2 SOL 2195 17.760 47.860 36.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8163 ATOM 8159 OW SOL 2196 3.090 39.120 24.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8164 ATOM 8160 HW1 SOL 2196 2.230 39.380 25.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8165 ATOM 8161 HW2 SOL 2196 3.520 38.390 25.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8166 ATOM 8162 OW SOL 2197 17.120 40.490 21.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8167 ATOM 8163 HW1 SOL 2197 18.110 40.530 20.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8168 ATOM 8164 HW2 SOL 2197 16.930 40.760 22.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8169 ATOM 8165 OW SOL 2198 11.280 43.650 28.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8170 ATOM 8166 HW1 SOL 2198 10.980 43.440 29.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8171 ATOM 8167 HW2 SOL 2198 10.870 43.010 28.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8172 ATOM 8168 OW SOL 2199 11.790 52.740 33.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8173 ATOM 8169 HW1 SOL 2199 12.400 53.220 33.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8174 ATOM 8170 HW2 SOL 2199 11.610 51.820 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8175 ATOM 8171 OW SOL 2200 19.160 51.830 35.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8176 ATOM 8172 HW1 SOL 2200 19.660 52.680 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8177 ATOM 8173 HW2 SOL 2200 19.400 51.490 36.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8178 ATOM 8174 OW SOL 2201 6.610 46.410 33.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8179 ATOM 8175 HW1 SOL 2201 5.830 46.900 32.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8180 ATOM 8176 HW2 SOL 2201 6.420 46.170 34.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8181 ATOM 8177 OW SOL 2202 14.800 40.680 19.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8182 ATOM 8178 HW1 SOL 2202 14.790 39.920 18.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8183 ATOM 8179 HW2 SOL 2202 15.590 40.570 20.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8184 ATOM 8180 OW SOL 2203 13.260 45.270 18.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8185 ATOM 8181 HW1 SOL 2203 13.240 44.280 18.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8186 ATOM 8182 HW2 SOL 2203 13.490 45.470 17.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8187 ATOM 8183 OW SOL 2204 11.980 50.100 27.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8188 ATOM 8184 HW1 SOL 2204 11.780 49.120 27.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8189 ATOM 8185 HW2 SOL 2204 12.870 50.290 27.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8190 ATOM 8186 OW SOL 2205 2.740 44.230 27.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8191 ATOM 8187 HW1 SOL 2205 3.490 44.690 27.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8192 ATOM 8188 HW2 SOL 2205 2.850 43.240 27.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8193 ATOM 8189 OW SOL 2206 3.070 41.520 27.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8194 ATOM 8190 HW1 SOL 2206 3.200 41.310 28.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8195 ATOM 8191 HW2 SOL 2206 2.250 41.040 27.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8196 ATOM 8192 OW SOL 2207 12.280 40.210 35.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8197 ATOM 8193 HW1 SOL 2207 11.370 40.570 36.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8198 ATOM 8194 HW2 SOL 2207 12.800 40.890 35.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8199 ATOM 8195 OW SOL 2208 12.270 38.670 33.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8200 ATOM 8196 HW1 SOL 2208 11.620 39.340 33.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8201 ATOM 8197 HW2 SOL 2208 12.700 39.020 32.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8202 ATOM 8198 OW SOL 2209 71.280 47.870 18.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8203 ATOM 8199 HW1 SOL 2209 70.300 48.030 18.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8204 ATOM 8200 HW2 SOL 2209 71.450 46.890 18.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8205 ATOM 8201 OW SOL 2210 1.030 54.080 28.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8206 ATOM 8202 HW1 SOL 2210 1.770 53.710 29.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8207 ATOM 8203 HW2 SOL 2210 1.320 54.120 28.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8208 ATOM 8204 OW SOL 2211 5.520 53.570 26.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8209 ATOM 8205 HW1 SOL 2211 6.140 53.390 27.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8210 ATOM 8206 HW2 SOL 2211 5.860 53.130 26.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8211 ATOM 8207 OW SOL 2212 7.150 44.890 29.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8212 ATOM 8208 HW1 SOL 2212 6.450 44.910 30.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8213 ATOM 8209 HW2 SOL 2212 7.720 44.080 29.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8214 ATOM 8210 OW SOL 2213 71.730 43.270 29.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8215 ATOM 8211 HW1 SOL 2213 71.480 42.360 29.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8216 ATOM 8212 HW2 SOL 2213 72.510 43.610 30.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8217 ATOM 8213 OW SOL 2214 1.020 43.620 34.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8218 ATOM 8214 HW1 SOL 2214 1.010 42.620 34.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8219 ATOM 8215 HW2 SOL 2214 1.880 43.960 34.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8220 ATOM 8216 OW SOL 2215 11.840 45.410 32.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8221 ATOM 8217 HW1 SOL 2215 11.410 45.390 33.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8222 ATOM 8218 HW2 SOL 2215 11.350 46.050 31.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8223 ATOM 8219 OW SOL 2216 8.900 41.760 21.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8224 ATOM 8220 HW1 SOL 2216 8.550 40.860 21.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8225 ATOM 8221 HW2 SOL 2216 8.180 42.440 21.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8226 ATOM 8222 OW SOL 2217 16.590 42.040 29.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8227 ATOM 8223 HW1 SOL 2217 16.090 41.210 29.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8228 ATOM 8224 HW2 SOL 2217 16.970 42.450 30.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8229 ATOM 8225 OW SOL 2218 0.810 51.840 36.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8230 ATOM 8226 HW1 SOL 2218 1.420 52.610 36.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8231 ATOM 8227 HW2 SOL 2218 1.300 50.980 36.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8232 ATOM 8228 OW SOL 2219 6.280 40.600 30.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8233 ATOM 8229 HW1 SOL 2219 5.760 39.830 29.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8234 ATOM 8230 HW2 SOL 2219 7.090 40.760 29.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8235 ATOM 8231 OW SOL 2220 10.050 54.130 31.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8236 ATOM 8232 HW1 SOL 2220 9.830 53.280 30.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8237 ATOM 8233 HW2 SOL 2220 9.630 54.900 30.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8238 ATOM 8234 OW SOL 2221 5.340 40.390 21.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8239 ATOM 8235 HW1 SOL 2221 5.860 41.240 21.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8240 ATOM 8236 HW2 SOL 2221 4.400 40.610 21.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8241 ATOM 8237 OW SOL 2222 0.780 48.640 33.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8242 ATOM 8238 HW1 SOL 2222 0.950 48.280 34.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8243 ATOM 8239 HW2 SOL 2222 1.430 48.250 32.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8244 ATOM 8240 OW SOL 2223 13.780 47.100 28.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8245 ATOM 8241 HW1 SOL 2223 13.950 46.120 28.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8246 ATOM 8242 HW2 SOL 2223 12.890 47.250 28.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8247 ATOM 8243 OW SOL 2224 13.770 45.870 21.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8248 ATOM 8244 HW1 SOL 2224 13.270 45.220 22.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8249 ATOM 8245 HW2 SOL 2224 13.690 45.600 20.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8250 ATOM 8246 OW SOL 2225 18.890 54.770 29.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8251 ATOM 8247 HW1 SOL 2225 18.780 55.450 28.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8252 ATOM 8248 HW2 SOL 2225 18.580 53.880 29.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8253 ATOM 8249 OW SOL 2226 15.070 55.700 28.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8254 ATOM 8250 HW1 SOL 2226 15.200 55.340 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8255 ATOM 8251 HW2 SOL 2226 15.870 55.470 28.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8256 ATOM 8252 OW SOL 2227 1.600 50.370 30.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8257 ATOM 8253 HW1 SOL 2227 1.170 50.630 31.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8258 ATOM 8254 HW2 SOL 2227 1.170 49.540 30.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8259 ATOM 8255 OW SOL 2228 9.220 54.010 33.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8260 ATOM 8256 HW1 SOL 2228 8.700 54.450 33.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8261 ATOM 8257 HW2 SOL 2228 10.120 53.730 33.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8262 ATOM 8258 OW SOL 2229 19.840 39.380 21.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8263 ATOM 8259 HW1 SOL 2229 20.330 38.930 20.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8264 ATOM 8260 HW2 SOL 2229 19.480 38.680 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8265 ATOM 8261 OW SOL 2230 14.680 51.680 21.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8266 ATOM 8262 HW1 SOL 2230 14.230 51.040 20.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8267 ATOM 8263 HW2 SOL 2230 15.460 52.100 21.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8268 ATOM 8264 OW SOL 2231 2.890 53.290 35.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8269 ATOM 8265 HW1 SOL 2231 3.450 52.800 36.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8270 ATOM 8266 HW2 SOL 2231 3.130 52.990 34.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8271 ATOM 8267 OW SOL 2232 12.920 46.740 25.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8272 ATOM 8268 HW1 SOL 2232 13.720 46.170 25.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8273 ATOM 8269 HW2 SOL 2232 13.010 47.170 24.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8274 ATOM 8270 OW SOL 2233 3.860 48.230 30.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8275 ATOM 8271 HW1 SOL 2233 3.920 48.380 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8276 ATOM 8272 HW2 SOL 2233 4.500 48.830 30.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8277 ATOM 8273 OW SOL 2234 6.130 52.400 19.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8278 ATOM 8274 HW1 SOL 2234 6.130 52.690 18.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8279 ATOM 8275 HW2 SOL 2234 5.790 51.470 19.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8280 ATOM 8276 OW SOL 2235 16.220 54.720 30.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8281 ATOM 8277 HW1 SOL 2235 17.210 54.700 30.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8282 ATOM 8278 HW2 SOL 2235 15.940 55.570 30.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8283 ATOM 8279 OW SOL 2236 18.900 38.690 27.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8284 ATOM 8280 HW1 SOL 2236 19.270 37.770 27.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8285 ATOM 8281 HW2 SOL 2236 17.940 38.690 27.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8286 ATOM 8282 OW SOL 2237 0.930 39.920 27.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8287 ATOM 8283 HW1 SOL 2237 0.650 39.550 26.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8288 ATOM 8284 HW2 SOL 2237 0.190 39.800 27.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8289 ATOM 8285 OW SOL 2238 10.480 52.650 18.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8290 ATOM 8286 HW1 SOL 2238 11.070 52.980 17.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8291 ATOM 8287 HW2 SOL 2238 9.730 52.120 17.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8292 ATOM 8288 OW SOL 2239 9.030 46.550 31.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8293 ATOM 8289 HW1 SOL 2239 8.190 46.570 32.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8294 ATOM 8290 HW2 SOL 2239 8.830 46.180 30.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8295 ATOM 8291 OW SOL 2240 10.100 46.920 21.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8296 ATOM 8292 HW1 SOL 2240 10.600 47.410 20.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8297 ATOM 8293 HW2 SOL 2240 9.920 47.530 22.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8298 ATOM 8294 OW SOL 2241 13.050 52.280 16.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8299 ATOM 8295 HW1 SOL 2241 12.470 51.860 15.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8300 ATOM 8296 HW2 SOL 2241 13.730 51.610 16.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8301 ATOM 8297 OW SOL 2242 3.890 48.940 33.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8302 ATOM 8298 HW1 SOL 2242 3.940 49.940 33.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8303 ATOM 8299 HW2 SOL 2242 4.020 48.570 34.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8304 ATOM 8300 OW SOL 2243 16.880 51.070 30.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8305 ATOM 8301 HW1 SOL 2243 16.360 50.760 31.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8306 ATOM 8302 HW2 SOL 2243 16.310 51.670 30.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8307 ATOM 8303 OW SOL 2244 11.500 47.600 27.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8308 ATOM 8304 HW1 SOL 2244 10.590 47.210 27.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8309 ATOM 8305 HW2 SOL 2244 12.090 47.330 26.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8310 ATOM 8306 OW SOL 2245 12.190 40.020 27.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8311 ATOM 8307 HW1 SOL 2245 11.870 39.310 26.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8312 ATOM 8308 HW2 SOL 2245 12.020 39.720 28.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8313 ATOM 8309 OW SOL 2246 6.460 50.570 22.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8314 ATOM 8310 HW1 SOL 2246 7.420 50.340 22.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8315 ATOM 8311 HW2 SOL 2246 5.980 50.360 21.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8316 ATOM 8312 OW SOL 2247 18.310 40.360 32.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8317 ATOM 8313 HW1 SOL 2247 19.020 41.060 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8318 ATOM 8314 HW2 SOL 2247 18.410 39.790 32.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8319 ATOM 8315 OW SOL 2248 2.680 51.620 20.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8320 ATOM 8316 HW1 SOL 2248 3.140 52.490 20.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8321 ATOM 8317 HW2 SOL 2248 2.040 51.420 21.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8322 ATOM 8318 OW SOL 2249 2.750 49.320 36.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8323 ATOM 8319 HW1 SOL 2249 1.990 48.720 36.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8324 ATOM 8320 HW2 SOL 2249 3.480 48.770 36.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8325 ATOM 8321 OW SOL 2250 7.480 36.730 33.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8326 ATOM 8322 HW1 SOL 2250 8.290 36.610 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8327 ATOM 8323 HW2 SOL 2250 7.750 37.190 34.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8328 ATOM 8324 OW SOL 2251 0.510 39.910 16.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8329 ATOM 8325 HW1 SOL 2251 0.900 39.010 16.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8330 ATOM 8326 HW2 SOL 2251 -0.120 39.820 15.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8331 ATOM 8327 OW SOL 2252 14.360 46.300 32.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8332 ATOM 8328 HW1 SOL 2252 13.540 45.790 32.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8333 ATOM 8329 HW2 SOL 2252 15.020 46.230 31.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8334 ATOM 8330 OW SOL 2253 72.190 36.450 23.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8335 ATOM 8331 HW1 SOL 2253 73.080 36.860 23.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8336 ATOM 8332 HW2 SOL 2253 72.230 35.990 24.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8337 ATOM 8333 OW SOL 2254 13.150 50.120 20.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8338 ATOM 8334 HW1 SOL 2254 12.700 49.270 19.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8339 ATOM 8335 HW2 SOL 2254 12.460 50.790 20.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8340 ATOM 8336 OW SOL 2255 7.350 44.320 36.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8341 ATOM 8337 HW1 SOL 2255 7.690 43.930 35.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8342 ATOM 8338 HW2 SOL 2255 7.510 43.660 36.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8343 ATOM 8339 OW SOL 2256 15.210 56.360 24.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8344 ATOM 8340 HW1 SOL 2256 15.520 57.090 25.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8345 ATOM 8341 HW2 SOL 2256 14.210 56.330 24.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8346 ATOM 8342 OW SOL 2257 9.200 40.370 34.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8347 ATOM 8343 HW1 SOL 2257 9.410 41.000 34.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8348 ATOM 8344 HW2 SOL 2257 9.170 39.430 34.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8349 ATOM 8345 OW SOL 2258 15.120 50.690 32.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8350 ATOM 8346 HW1 SOL 2258 14.200 50.430 32.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8351 ATOM 8347 HW2 SOL 2258 15.750 50.570 33.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8352 ATOM 8348 OW SOL 2259 4.730 54.600 32.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8353 ATOM 8349 HW1 SOL 2259 4.600 53.660 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8354 ATOM 8350 HW2 SOL 2259 3.870 54.950 32.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8355 ATOM 8351 OW SOL 2260 17.800 46.270 28.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8356 ATOM 8352 HW1 SOL 2260 17.300 45.440 28.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8357 ATOM 8353 HW2 SOL 2260 17.520 47.030 27.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8358 ATOM 8354 OW SOL 2261 12.250 40.740 24.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8359 ATOM 8355 HW1 SOL 2261 12.920 40.150 23.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8360 ATOM 8356 HW2 SOL 2261 12.720 41.530 24.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8361 ATOM 8357 OW SOL 2262 5.720 41.710 26.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8362 ATOM 8358 HW1 SOL 2262 5.660 41.400 26.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8363 ATOM 8359 HW2 SOL 2262 4.860 41.520 27.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8364 ATOM 8360 OW SOL 2263 15.870 41.020 34.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8365 ATOM 8361 HW1 SOL 2263 16.710 40.810 33.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8366 ATOM 8362 HW2 SOL 2263 15.800 40.450 34.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8367 ATOM 8363 OW SOL 2264 18.030 46.190 31.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8368 ATOM 8364 HW1 SOL 2264 17.940 47.120 31.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8369 ATOM 8365 HW2 SOL 2264 18.240 46.210 30.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8370 ATOM 8366 OW SOL 2265 10.240 50.150 19.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8371 ATOM 8367 HW1 SOL 2265 10.040 50.460 20.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8372 ATOM 8368 HW2 SOL 2265 10.330 50.950 19.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8373 ATOM 8369 OW SOL 2266 8.090 54.030 28.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8374 ATOM 8370 HW1 SOL 2266 8.290 54.790 27.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8375 ATOM 8371 HW2 SOL 2266 8.730 53.290 28.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8376 ATOM 8372 OW SOL 2267 9.420 45.490 27.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8377 ATOM 8373 HW1 SOL 2267 10.240 45.030 28.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8378 ATOM 8374 HW2 SOL 2267 8.610 45.000 28.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8379 ATOM 8375 OW SOL 2268 12.030 47.870 19.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8380 ATOM 8376 HW1 SOL 2268 11.330 47.800 18.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8381 ATOM 8377 HW2 SOL 2268 12.630 47.070 19.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8382 ATOM 8378 OW SOL 2269 18.640 52.960 23.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8383 ATOM 8379 HW1 SOL 2269 17.740 53.380 23.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8384 ATOM 8380 HW2 SOL 2269 19.340 53.620 23.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8385 ATOM 8381 OW SOL 2270 3.790 51.490 37.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8386 ATOM 8382 HW1 SOL 2270 3.610 50.610 37.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8387 ATOM 8383 HW2 SOL 2270 3.440 51.470 38.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8388 ATOM 8384 OW SOL 2271 1.350 51.400 26.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8389 ATOM 8385 HW1 SOL 2271 0.860 50.550 26.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8390 ATOM 8386 HW2 SOL 2271 1.060 52.110 25.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8391 ATOM 8387 OW SOL 2272 7.330 52.170 32.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8392 ATOM 8388 HW1 SOL 2272 7.730 52.920 32.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8393 ATOM 8389 HW2 SOL 2272 7.900 51.990 31.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8394 ATOM 8390 OW SOL 2273 19.160 39.520 30.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8395 ATOM 8391 HW1 SOL 2273 20.000 38.980 30.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8396 ATOM 8392 HW2 SOL 2273 18.890 39.830 29.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8397 ATOM 8393 OW SOL 2274 3.000 41.000 22.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8398 ATOM 8394 HW1 SOL 2274 2.750 40.320 23.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8399 ATOM 8395 HW2 SOL 2274 2.260 41.110 22.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8400 ATOM 8396 OW SOL 2275 17.910 52.800 27.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8401 ATOM 8397 HW1 SOL 2275 18.540 52.780 27.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8402 ATOM 8398 HW2 SOL 2275 17.470 51.900 27.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8403 ATOM 8399 OW SOL 2276 3.950 42.100 30.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8404 ATOM 8400 HW1 SOL 2276 3.430 41.830 31.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8405 ATOM 8401 HW2 SOL 2276 4.900 41.800 30.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8406 ATOM 8402 OW SOL 2277 6.020 52.350 24.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8407 ATOM 8403 HW1 SOL 2277 5.510 53.110 24.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8408 ATOM 8404 HW2 SOL 2277 6.180 51.660 23.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8409 ATOM 8405 OW SOL 2278 15.390 39.690 29.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8410 ATOM 8406 HW1 SOL 2278 15.890 38.840 30.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8411 ATOM 8407 HW2 SOL 2278 14.520 39.680 30.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8412 ATOM 8408 OW SOL 2279 10.400 36.380 30.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8413 ATOM 8409 HW1 SOL 2279 9.530 36.070 29.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8414 ATOM 8410 HW2 SOL 2279 11.140 35.820 29.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8415 ATOM 8411 OW SOL 2280 9.240 50.760 22.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8416 ATOM 8412 HW1 SOL 2280 9.790 50.050 22.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8417 ATOM 8413 HW2 SOL 2280 9.650 51.660 22.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8418 ATOM 8414 OW SOL 2281 5.940 52.700 29.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8419 ATOM 8415 HW1 SOL 2281 6.060 52.590 30.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8420 ATOM 8416 HW2 SOL 2281 6.550 53.420 29.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8421 ATOM 8417 OW SOL 2282 13.640 37.330 21.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8422 ATOM 8418 HW1 SOL 2282 14.340 37.040 20.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8423 ATOM 8419 HW2 SOL 2282 12.730 37.180 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8424 ATOM 8420 OW SOL 2283 13.810 43.130 23.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8425 ATOM 8421 HW1 SOL 2283 13.050 43.670 23.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8426 ATOM 8422 HW2 SOL 2283 13.840 43.270 24.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8427 ATOM 8423 OW SOL 2284 16.110 38.760 27.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8428 ATOM 8424 HW1 SOL 2284 15.790 39.310 28.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8429 ATOM 8425 HW2 SOL 2284 15.810 39.180 26.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8430 ATOM 8426 OW SOL 2285 1.310 46.860 21.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8431 ATOM 8427 HW1 SOL 2285 2.280 46.720 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8432 ATOM 8428 HW2 SOL 2285 1.220 47.060 22.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8433 ATOM 8429 OW SOL 2286 9.120 53.510 22.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8434 ATOM 8430 HW1 SOL 2286 8.380 52.850 22.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8435 ATOM 8431 HW2 SOL 2286 8.810 54.420 22.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8436 ATOM 8432 OW SOL 2287 0.730 45.080 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8437 ATOM 8433 HW1 SOL 2287 -0.090 44.980 37.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8438 ATOM 8434 HW2 SOL 2287 0.720 44.390 36.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8439 ATOM 8435 OW SOL 2288 1.340 43.280 46.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8440 ATOM 8436 HW1 SOL 2288 1.720 43.870 45.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8441 ATOM 8437 HW2 SOL 2288 1.910 43.350 47.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8442 ATOM 8438 OW SOL 2289 71.320 40.760 42.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8443 ATOM 8439 HW1 SOL 2289 70.600 41.220 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8444 ATOM 8440 HW2 SOL 2289 71.370 41.160 43.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8445 ATOM 8441 OW SOL 2290 4.960 49.270 47.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8446 ATOM 8442 HW1 SOL 2290 4.350 49.920 46.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8447 ATOM 8443 HW2 SOL 2290 5.750 49.760 47.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8448 ATOM 8444 OW SOL 2291 14.940 51.840 43.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8449 ATOM 8445 HW1 SOL 2291 14.860 51.950 44.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8450 ATOM 8446 HW2 SOL 2291 14.380 52.520 42.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8451 ATOM 8447 OW SOL 2292 11.200 43.840 42.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8452 ATOM 8448 HW1 SOL 2292 11.790 44.650 42.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8453 ATOM 8449 HW2 SOL 2292 10.500 43.920 42.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8454 ATOM 8450 OW SOL 2293 16.270 41.030 38.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8455 ATOM 8451 HW1 SOL 2293 16.010 40.080 38.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8456 ATOM 8452 HW2 SOL 2293 15.550 41.490 39.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8457 ATOM 8453 OW SOL 2294 7.610 48.540 45.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8458 ATOM 8454 HW1 SOL 2294 7.350 49.430 45.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8459 ATOM 8455 HW2 SOL 2294 7.870 48.650 44.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8460 ATOM 8456 OW SOL 2295 9.430 44.570 53.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8461 ATOM 8457 HW1 SOL 2295 9.740 45.370 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8462 ATOM 8458 HW2 SOL 2295 10.060 44.410 52.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8463 ATOM 8459 OW SOL 2296 7.000 46.920 40.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8464 ATOM 8460 HW1 SOL 2296 7.300 47.460 41.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8465 ATOM 8461 HW2 SOL 2296 7.550 47.170 39.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8466 ATOM 8462 OW SOL 2297 7.530 50.470 55.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8467 ATOM 8463 HW1 SOL 2297 7.870 50.330 56.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8468 ATOM 8464 HW2 SOL 2297 6.530 50.550 55.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8469 ATOM 8465 OW SOL 2298 1.550 52.840 48.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8470 ATOM 8466 HW1 SOL 2298 1.200 51.900 48.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8471 ATOM 8467 HW2 SOL 2298 1.410 53.190 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8472 ATOM 8468 OW SOL 2299 13.660 52.500 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8473 ATOM 8469 HW1 SOL 2299 14.090 53.340 49.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8474 ATOM 8470 HW2 SOL 2299 13.330 52.630 51.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8475 ATOM 8471 OW SOL 2300 3.880 42.150 51.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8476 ATOM 8472 HW1 SOL 2300 4.770 41.700 51.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8477 ATOM 8473 HW2 SOL 2300 3.180 41.470 50.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8478 ATOM 8474 OW SOL 2301 16.250 41.220 43.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8479 ATOM 8475 HW1 SOL 2301 16.330 41.190 42.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8480 ATOM 8476 HW2 SOL 2301 16.040 42.160 44.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8481 ATOM 8477 OW SOL 2302 1.420 53.340 42.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8482 ATOM 8478 HW1 SOL 2302 1.900 53.490 43.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8483 ATOM 8479 HW2 SOL 2302 0.950 52.460 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8484 ATOM 8480 OW SOL 2303 11.720 50.050 53.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8485 ATOM 8481 HW1 SOL 2303 12.130 49.790 54.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8486 ATOM 8482 HW2 SOL 2303 10.770 49.740 53.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8487 ATOM 8483 OW SOL 2304 1.880 51.220 39.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8488 ATOM 8484 HW1 SOL 2304 1.050 51.380 39.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8489 ATOM 8485 HW2 SOL 2304 2.250 52.090 40.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8490 ATOM 8486 OW SOL 2305 1.910 50.880 44.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8491 ATOM 8487 HW1 SOL 2305 1.100 50.290 44.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8492 ATOM 8488 HW2 SOL 2305 2.390 50.820 44.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8493 ATOM 8489 OW SOL 2306 5.500 54.170 50.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8494 ATOM 8490 HW1 SOL 2306 6.220 54.070 50.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8495 ATOM 8491 HW2 SOL 2306 5.430 55.120 49.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8496 ATOM 8492 OW SOL 2307 7.000 49.410 35.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8497 ATOM 8493 HW1 SOL 2307 7.050 49.370 34.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8498 ATOM 8494 HW2 SOL 2307 7.710 48.830 36.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8499 ATOM 8495 OW SOL 2308 15.090 38.470 50.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8500 ATOM 8496 HW1 SOL 2308 15.710 39.160 50.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8501 ATOM 8497 HW2 SOL 2308 14.140 38.770 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8502 ATOM 8498 OW SOL 2309 71.920 44.190 43.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8503 ATOM 8499 HW1 SOL 2309 72.300 43.520 44.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8504 ATOM 8500 HW2 SOL 2309 72.580 44.930 43.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8505 ATOM 8501 OW SOL 2310 18.600 56.390 38.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8506 ATOM 8502 HW1 SOL 2310 19.050 56.070 39.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8507 ATOM 8503 HW2 SOL 2310 18.930 57.310 38.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8508 ATOM 8504 OW SOL 2311 72.120 51.660 38.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8509 ATOM 8505 HW1 SOL 2311 71.930 50.690 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8510 ATOM 8506 HW2 SOL 2311 72.450 51.840 37.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8511 ATOM 8507 OW SOL 2312 17.760 43.710 41.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8512 ATOM 8508 HW1 SOL 2312 18.310 43.780 42.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8513 ATOM 8509 HW2 SOL 2312 17.660 42.760 41.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8514 ATOM 8510 OW SOL 2313 15.220 49.580 39.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8515 ATOM 8511 HW1 SOL 2313 15.440 48.700 39.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8516 ATOM 8512 HW2 SOL 2313 16.070 49.990 38.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8517 ATOM 8513 OW SOL 2314 2.550 45.460 53.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8518 ATOM 8514 HW1 SOL 2314 3.480 45.620 53.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8519 ATOM 8515 HW2 SOL 2314 1.910 45.640 52.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8520 ATOM 8516 OW SOL 2315 5.850 50.120 41.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8521 ATOM 8517 HW1 SOL 2315 4.940 50.370 41.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8522 ATOM 8518 HW2 SOL 2315 5.840 50.060 40.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8523 ATOM 8519 OW SOL 2316 12.370 48.840 51.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8524 ATOM 8520 HW1 SOL 2316 13.000 49.500 51.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8525 ATOM 8521 HW2 SOL 2316 12.040 49.190 52.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8526 ATOM 8522 OW SOL 2317 6.420 37.770 42.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8527 ATOM 8523 HW1 SOL 2317 7.250 38.090 41.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8528 ATOM 8524 HW2 SOL 2317 5.790 38.540 42.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8529 ATOM 8525 OW SOL 2318 4.850 46.770 48.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8530 ATOM 8526 HW1 SOL 2318 5.460 46.990 49.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8531 ATOM 8527 HW2 SOL 2318 4.820 47.540 47.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8532 ATOM 8528 OW SOL 2319 15.950 47.130 37.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8533 ATOM 8529 HW1 SOL 2319 15.600 46.200 36.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8534 ATOM 8530 HW2 SOL 2319 15.310 47.770 36.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8535 ATOM 8531 OW SOL 2320 12.790 56.060 52.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8536 ATOM 8532 HW1 SOL 2320 12.160 55.300 52.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8537 ATOM 8533 HW2 SOL 2320 12.360 56.910 53.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8538 ATOM 8534 OW SOL 2321 0.020 41.900 54.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8539 ATOM 8535 HW1 SOL 2321 0.960 41.570 54.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8540 ATOM 8536 HW2 SOL 2321 -0.410 41.730 53.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8541 ATOM 8537 OW SOL 2322 14.810 51.490 45.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8542 ATOM 8538 HW1 SOL 2322 14.090 51.650 46.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8543 ATOM 8539 HW2 SOL 2322 14.820 50.530 45.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8544 ATOM 8540 OW SOL 2323 15.910 58.230 40.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8545 ATOM 8541 HW1 SOL 2323 15.460 57.490 39.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8546 ATOM 8542 HW2 SOL 2323 15.640 58.190 41.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8547 ATOM 8543 OW SOL 2324 4.490 45.850 39.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8548 ATOM 8544 HW1 SOL 2324 5.350 46.280 40.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8549 ATOM 8545 HW2 SOL 2324 3.780 46.050 40.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8550 ATOM 8546 OW SOL 2325 11.870 41.640 45.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8551 ATOM 8547 HW1 SOL 2325 10.970 41.210 45.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8552 ATOM 8548 HW2 SOL 2325 12.320 41.730 46.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8553 ATOM 8549 OW SOL 2326 16.430 55.180 38.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8554 ATOM 8550 HW1 SOL 2326 17.230 55.740 38.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8555 ATOM 8551 HW2 SOL 2326 16.560 54.710 37.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8556 ATOM 8552 OW SOL 2327 7.760 43.220 50.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8557 ATOM 8553 HW1 SOL 2327 7.440 43.330 51.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8558 ATOM 8554 HW2 SOL 2327 7.070 42.750 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8559 ATOM 8555 OW SOL 2328 14.210 42.730 52.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8560 ATOM 8556 HW1 SOL 2328 14.030 43.130 53.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8561 ATOM 8557 HW2 SOL 2328 15.180 42.800 52.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8562 ATOM 8558 OW SOL 2329 9.830 47.370 50.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8563 ATOM 8559 HW1 SOL 2329 9.790 46.420 50.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8564 ATOM 8560 HW2 SOL 2329 10.780 47.600 51.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8565 ATOM 8561 OW SOL 2330 9.160 40.980 48.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8566 ATOM 8562 HW1 SOL 2330 8.330 41.420 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8567 ATOM 8563 HW2 SOL 2330 9.290 40.110 48.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8568 ATOM 8564 OW SOL 2331 8.060 44.090 40.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8569 ATOM 8565 HW1 SOL 2331 8.120 43.500 41.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8570 ATOM 8566 HW2 SOL 2331 7.550 44.920 40.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8571 ATOM 8567 OW SOL 2332 1.360 46.240 45.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8572 ATOM 8568 HW1 SOL 2332 2.200 45.720 45.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8573 ATOM 8569 HW2 SOL 2332 1.600 47.180 45.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8574 ATOM 8570 OW SOL 2333 72.030 54.790 53.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8575 ATOM 8571 HW1 SOL 2333 71.720 54.610 54.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8576 ATOM 8572 HW2 SOL 2333 71.370 55.390 53.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8577 ATOM 8573 OW SOL 2334 6.960 40.470 38.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8578 ATOM 8574 HW1 SOL 2334 7.780 40.760 38.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8579 ATOM 8575 HW2 SOL 2334 7.110 39.560 38.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8580 ATOM 8576 OW SOL 2335 17.090 42.760 52.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8581 ATOM 8577 HW1 SOL 2335 16.780 43.690 52.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8582 ATOM 8578 HW2 SOL 2335 17.510 42.760 51.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8583 ATOM 8579 OW SOL 2336 13.040 48.640 40.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8584 ATOM 8580 HW1 SOL 2336 14.010 48.890 40.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8585 ATOM 8581 HW2 SOL 2336 12.480 49.470 40.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8586 ATOM 8582 OW SOL 2337 5.080 38.860 47.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8587 ATOM 8583 HW1 SOL 2337 5.210 38.860 48.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8588 ATOM 8584 HW2 SOL 2337 4.770 39.770 47.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8589 ATOM 8585 OW SOL 2338 9.700 52.820 40.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8590 ATOM 8586 HW1 SOL 2338 9.710 53.600 39.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8591 ATOM 8587 HW2 SOL 2338 8.810 52.780 41.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8592 ATOM 8588 OW SOL 2339 3.170 53.750 44.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8593 ATOM 8589 HW1 SOL 2339 3.920 53.080 44.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8594 ATOM 8590 HW2 SOL 2339 3.560 54.670 44.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8595 ATOM 8591 OW SOL 2340 18.790 47.870 47.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8596 ATOM 8592 HW1 SOL 2340 18.970 46.960 47.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8597 ATOM 8593 HW2 SOL 2340 17.820 48.090 47.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8598 ATOM 8594 OW SOL 2341 12.570 52.390 52.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8599 ATOM 8595 HW1 SOL 2341 12.410 51.610 53.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8600 ATOM 8596 HW2 SOL 2341 11.700 52.850 52.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8601 ATOM 8597 OW SOL 2342 4.800 48.030 35.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8602 ATOM 8598 HW1 SOL 2342 5.790 48.160 35.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8603 ATOM 8599 HW2 SOL 2342 4.590 47.130 35.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8604 ATOM 8600 OW SOL 2343 15.130 43.880 41.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8605 ATOM 8601 HW1 SOL 2343 15.020 43.730 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8606 ATOM 8602 HW2 SOL 2343 16.090 44.080 41.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8607 ATOM 8603 OW SOL 2344 4.860 50.240 55.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8608 ATOM 8604 HW1 SOL 2344 4.810 50.050 55.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8609 ATOM 8605 HW2 SOL 2344 4.260 49.610 56.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8610 ATOM 8606 OW SOL 2345 12.350 55.230 37.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8611 ATOM 8607 HW1 SOL 2345 11.350 55.290 37.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8612 ATOM 8608 HW2 SOL 2345 12.660 54.820 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8613 ATOM 8609 OW SOL 2346 72.400 39.880 52.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8614 ATOM 8610 HW1 SOL 2346 71.770 39.970 51.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8615 ATOM 8611 HW2 SOL 2346 72.330 38.950 52.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8616 ATOM 8612 OW SOL 2347 17.030 50.370 37.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8617 ATOM 8613 HW1 SOL 2347 17.090 51.370 37.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8618 ATOM 8614 HW2 SOL 2347 16.380 50.130 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8619 ATOM 8615 OW SOL 2348 8.170 56.780 37.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8620 ATOM 8616 HW1 SOL 2348 8.110 57.780 37.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8621 ATOM 8617 HW2 SOL 2348 7.740 56.400 37.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8622 ATOM 8618 OW SOL 2349 13.250 37.940 41.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8623 ATOM 8619 HW1 SOL 2349 12.990 37.380 40.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8624 ATOM 8620 HW2 SOL 2349 14.250 38.050 41.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8625 ATOM 8621 OW SOL 2350 5.110 53.590 47.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8626 ATOM 8622 HW1 SOL 2350 5.560 53.720 48.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8627 ATOM 8623 HW2 SOL 2350 5.790 53.400 46.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8628 ATOM 8624 OW SOL 2351 8.260 53.530 44.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8629 ATOM 8625 HW1 SOL 2351 9.230 53.340 44.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8630 ATOM 8626 HW2 SOL 2351 7.820 53.720 43.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8631 ATOM 8627 OW SOL 2352 2.620 46.010 41.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8632 ATOM 8628 HW1 SOL 2352 2.750 45.080 42.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8633 ATOM 8629 HW2 SOL 2352 3.070 46.660 42.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8634 ATOM 8630 OW SOL 2353 14.850 38.680 53.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8635 ATOM 8631 HW1 SOL 2353 14.080 39.220 52.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8636 ATOM 8632 HW2 SOL 2353 14.540 37.750 53.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8637 ATOM 8633 OW SOL 2354 6.870 37.860 37.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8638 ATOM 8634 HW1 SOL 2354 6.680 37.140 37.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8639 ATOM 8635 HW2 SOL 2354 6.150 37.900 36.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8640 ATOM 8636 OW SOL 2355 8.520 40.290 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8641 ATOM 8637 HW1 SOL 2355 9.130 41.070 53.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8642 ATOM 8638 HW2 SOL 2355 9.050 39.460 53.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8643 ATOM 8639 OW SOL 2356 8.250 52.240 48.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8644 ATOM 8640 HW1 SOL 2356 8.730 53.030 48.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8645 ATOM 8641 HW2 SOL 2356 8.850 51.770 49.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8646 ATOM 8642 OW SOL 2357 13.660 42.560 49.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8647 ATOM 8643 HW1 SOL 2357 13.770 42.300 50.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8648 ATOM 8644 HW2 SOL 2357 13.490 43.540 49.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8649 ATOM 8645 OW SOL 2358 8.110 49.770 42.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8650 ATOM 8646 HW1 SOL 2358 8.730 49.200 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8651 ATOM 8647 HW2 SOL 2358 7.380 50.130 42.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8652 ATOM 8648 OW SOL 2359 8.130 42.270 44.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8653 ATOM 8649 HW1 SOL 2359 7.790 41.790 43.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8654 ATOM 8650 HW2 SOL 2359 8.660 41.630 44.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8655 ATOM 8651 OW SOL 2360 4.620 40.120 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8656 ATOM 8652 HW1 SOL 2360 3.950 39.750 43.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8657 ATOM 8653 HW2 SOL 2360 4.200 40.180 41.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8658 ATOM 8654 OW SOL 2361 14.290 49.590 36.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8659 ATOM 8655 HW1 SOL 2361 13.510 48.960 36.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8660 ATOM 8656 HW2 SOL 2361 14.400 49.820 37.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8661 ATOM 8657 OW SOL 2362 4.070 37.550 38.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8662 ATOM 8658 HW1 SOL 2362 3.950 38.420 39.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8663 ATOM 8659 HW2 SOL 2362 4.620 36.930 39.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8664 ATOM 8660 OW SOL 2363 8.430 39.220 41.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8665 ATOM 8661 HW1 SOL 2363 8.000 40.110 41.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8666 ATOM 8662 HW2 SOL 2363 9.390 39.330 41.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8667 ATOM 8663 OW SOL 2364 11.510 44.160 51.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8668 ATOM 8664 HW1 SOL 2364 12.220 43.720 51.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8669 ATOM 8665 HW2 SOL 2364 11.890 44.390 50.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8670 ATOM 8666 OW SOL 2365 10.950 53.060 44.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8671 ATOM 8667 HW1 SOL 2365 10.980 53.390 43.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8672 ATOM 8668 HW2 SOL 2365 11.630 53.550 45.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8673 ATOM 8669 OW SOL 2366 3.240 50.250 41.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8674 ATOM 8670 HW1 SOL 2366 2.720 50.570 42.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8675 ATOM 8671 HW2 SOL 2366 2.830 50.600 41.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8676 ATOM 8672 OW SOL 2367 10.970 54.390 42.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8677 ATOM 8673 HW1 SOL 2367 10.420 55.220 42.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8678 ATOM 8674 HW2 SOL 2367 10.810 53.940 41.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8679 ATOM 8675 OW SOL 2368 10.010 41.760 36.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8680 ATOM 8676 HW1 SOL 2368 10.450 42.590 36.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8681 ATOM 8677 HW2 SOL 2368 9.570 41.960 37.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8682 ATOM 8678 OW SOL 2369 2.230 46.150 48.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8683 ATOM 8679 HW1 SOL 2369 3.200 46.380 48.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8684 ATOM 8680 HW2 SOL 2369 2.120 45.160 48.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8685 ATOM 8681 OW SOL 2370 5.370 39.520 50.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8686 ATOM 8682 HW1 SOL 2370 6.280 39.400 50.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8687 ATOM 8683 HW2 SOL 2370 4.810 38.720 50.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8688 ATOM 8684 OW SOL 2371 6.820 41.590 41.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8689 ATOM 8685 HW1 SOL 2371 6.550 42.320 40.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8690 ATOM 8686 HW2 SOL 2371 6.000 41.120 41.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8691 ATOM 8687 OW SOL 2372 8.310 37.800 44.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8692 ATOM 8688 HW1 SOL 2372 8.930 37.700 43.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8693 ATOM 8689 HW2 SOL 2372 8.630 37.240 45.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8694 ATOM 8690 OW SOL 2373 14.870 49.030 45.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8695 ATOM 8691 HW1 SOL 2373 14.020 48.510 45.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8696 ATOM 8692 HW2 SOL 2373 15.510 48.790 44.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8697 ATOM 8693 OW SOL 2374 14.810 43.670 44.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8698 ATOM 8694 HW1 SOL 2374 14.010 43.090 44.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8699 ATOM 8695 HW2 SOL 2374 15.210 43.930 45.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8700 ATOM 8696 OW SOL 2375 17.890 41.250 40.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8701 ATOM 8697 HW1 SOL 2375 18.070 40.290 41.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8702 ATOM 8698 HW2 SOL 2375 17.500 41.280 39.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8703 ATOM 8699 OW SOL 2376 6.380 52.010 36.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8704 ATOM 8700 HW1 SOL 2376 6.600 51.150 36.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8705 ATOM 8701 HW2 SOL 2376 5.450 51.950 37.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8706 ATOM 8702 OW SOL 2377 16.220 49.040 43.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8707 ATOM 8703 HW1 SOL 2377 17.140 49.350 43.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8708 ATOM 8704 HW2 SOL 2377 15.610 49.840 43.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8709 ATOM 8705 OW SOL 2378 13.510 43.920 36.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8710 ATOM 8706 HW1 SOL 2378 12.520 43.970 36.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8711 ATOM 8707 HW2 SOL 2378 13.940 43.580 37.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8712 ATOM 8708 OW SOL 2379 4.250 40.110 39.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8713 ATOM 8709 HW1 SOL 2379 5.150 40.150 39.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8714 ATOM 8710 HW2 SOL 2379 3.600 40.680 39.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8715 ATOM 8711 OW SOL 2380 17.940 50.770 51.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8716 ATOM 8712 HW1 SOL 2380 18.840 50.400 51.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8717 ATOM 8713 HW2 SOL 2380 17.770 51.600 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8718 ATOM 8714 OW SOL 2381 9.710 50.840 50.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8719 ATOM 8715 HW1 SOL 2381 9.730 51.630 51.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8720 ATOM 8716 HW2 SOL 2381 10.620 50.420 50.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8721 ATOM 8717 OW SOL 2382 14.750 53.250 54.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8722 ATOM 8718 HW1 SOL 2382 14.000 53.550 53.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8723 ATOM 8719 HW2 SOL 2382 15.570 53.090 54.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8724 ATOM 8720 OW SOL 2383 10.950 50.030 47.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8725 ATOM 8721 HW1 SOL 2383 10.090 49.620 48.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8726 ATOM 8722 HW2 SOL 2383 10.920 50.200 46.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8727 ATOM 8723 OW SOL 2384 16.100 48.280 47.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8728 ATOM 8724 HW1 SOL 2384 15.610 48.840 48.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8729 ATOM 8725 HW2 SOL 2384 15.740 48.460 47.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8730 ATOM 8726 OW SOL 2385 9.890 38.500 49.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8731 ATOM 8727 HW1 SOL 2385 10.040 37.710 48.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8732 ATOM 8728 HW2 SOL 2385 10.380 38.360 50.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8733 ATOM 8729 OW SOL 2386 9.210 49.050 53.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8734 ATOM 8730 HW1 SOL 2386 8.630 49.030 54.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8735 ATOM 8731 HW2 SOL 2386 8.660 49.330 52.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8736 ATOM 8732 OW SOL 2387 8.000 46.990 36.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8737 ATOM 8733 HW1 SOL 2387 7.650 46.050 36.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8738 ATOM 8734 HW2 SOL 2387 8.970 46.970 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8739 ATOM 8735 OW SOL 2388 9.100 45.300 49.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8740 ATOM 8736 HW1 SOL 2388 9.710 45.020 48.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8741 ATOM 8737 HW2 SOL 2388 8.480 44.540 49.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8742 ATOM 8738 OW SOL 2389 11.930 42.020 47.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8743 ATOM 8739 HW1 SOL 2389 12.670 42.320 48.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8744 ATOM 8740 HW2 SOL 2389 11.170 41.690 48.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8745 ATOM 8741 OW SOL 2390 0.920 54.820 51.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8746 ATOM 8742 HW1 SOL 2390 0.180 54.660 51.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8747 ATOM 8743 HW2 SOL 2390 1.050 54.010 50.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8748 ATOM 8744 OW SOL 2391 6.740 49.720 38.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8749 ATOM 8745 HW1 SOL 2391 6.440 49.370 37.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8750 ATOM 8746 HW2 SOL 2391 7.740 49.670 38.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8751 ATOM 8747 OW SOL 2392 2.370 40.450 45.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8752 ATOM 8748 HW1 SOL 2392 2.510 39.630 45.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8753 ATOM 8749 HW2 SOL 2392 1.450 40.810 45.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8754 ATOM 8750 OW SOL 2393 11.760 51.090 40.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8755 ATOM 8751 HW1 SOL 2393 12.540 51.580 40.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8756 ATOM 8752 HW2 SOL 2393 10.980 51.700 40.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8757 ATOM 8753 OW SOL 2394 12.810 51.810 47.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8758 ATOM 8754 HW1 SOL 2394 13.130 52.130 48.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8759 ATOM 8755 HW2 SOL 2394 12.120 51.100 47.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8760 ATOM 8756 OW SOL 2395 13.590 43.900 39.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8761 ATOM 8757 HW1 SOL 2395 14.200 43.910 40.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8762 ATOM 8758 HW2 SOL 2395 13.370 44.850 39.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8763 ATOM 8759 OW SOL 2396 3.820 52.210 50.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8764 ATOM 8760 HW1 SOL 2396 3.010 52.220 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8765 ATOM 8761 HW2 SOL 2396 4.370 53.030 50.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8766 ATOM 8762 OW SOL 2397 5.230 45.950 52.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8767 ATOM 8763 HW1 SOL 2397 5.500 46.130 52.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8768 ATOM 8764 HW2 SOL 2397 5.750 45.170 53.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8769 ATOM 8765 OW SOL 2398 16.470 45.340 52.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8770 ATOM 8766 HW1 SOL 2398 15.670 45.940 53.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8771 ATOM 8767 HW2 SOL 2398 17.040 45.620 52.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8772 ATOM 8768 OW SOL 2399 9.480 37.800 53.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8773 ATOM 8769 HW1 SOL 2399 10.050 37.440 53.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8774 ATOM 8770 HW2 SOL 2399 9.440 37.120 54.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8775 ATOM 8771 OW SOL 2400 2.980 41.080 55.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8776 ATOM 8772 HW1 SOL 2400 2.980 41.720 55.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8777 ATOM 8773 HW2 SOL 2400 3.340 41.540 56.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8778 ATOM 8774 OW SOL 2401 6.020 45.820 45.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8779 ATOM 8775 HW1 SOL 2401 6.820 46.420 45.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8780 ATOM 8776 HW2 SOL 2401 5.520 46.110 46.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8781 ATOM 8777 OW SOL 2402 12.440 47.700 44.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8782 ATOM 8778 HW1 SOL 2402 12.230 46.870 44.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8783 ATOM 8779 HW2 SOL 2402 11.640 48.300 44.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8784 ATOM 8780 OW SOL 2403 9.160 42.160 39.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8785 ATOM 8781 HW1 SOL 2403 9.830 41.780 39.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8786 ATOM 8782 HW2 SOL 2403 8.670 42.910 39.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8787 ATOM 8783 OW SOL 2404 2.140 40.220 50.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8788 ATOM 8784 HW1 SOL 2404 1.210 40.150 51.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8789 ATOM 8785 HW2 SOL 2404 2.580 39.320 51.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8790 ATOM 8786 OW SOL 2405 0.450 49.230 50.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8791 ATOM 8787 HW1 SOL 2405 1.390 49.290 50.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8792 ATOM 8788 HW2 SOL 2405 -0.120 49.910 51.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8793 ATOM 8789 OW SOL 2406 5.550 43.280 45.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8794 ATOM 8790 HW1 SOL 2406 6.420 42.860 44.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8795 ATOM 8791 HW2 SOL 2406 5.710 44.180 45.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8796 ATOM 8792 OW SOL 2407 18.030 46.680 55.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8797 ATOM 8793 HW1 SOL 2407 17.410 46.420 54.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8798 ATOM 8794 HW2 SOL 2407 17.490 47.030 55.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8799 ATOM 8795 OW SOL 2408 2.950 38.310 44.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8800 ATOM 8796 HW1 SOL 2408 2.440 37.840 43.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8801 ATOM 8797 HW2 SOL 2408 3.200 37.660 44.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8802 ATOM 8798 OW SOL 2409 13.110 39.980 38.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8803 ATOM 8799 HW1 SOL 2409 12.740 40.240 39.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8804 ATOM 8800 HW2 SOL 2409 12.420 40.160 37.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8805 ATOM 8801 OW SOL 2410 9.660 44.370 44.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8806 ATOM 8802 HW1 SOL 2410 10.090 44.370 45.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8807 ATOM 8803 HW2 SOL 2410 9.040 43.590 44.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8808 ATOM 8804 OW SOL 2411 10.510 53.570 55.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8809 ATOM 8805 HW1 SOL 2411 10.850 54.490 55.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8810 ATOM 8806 HW2 SOL 2411 9.940 53.290 54.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8811 ATOM 8807 OW SOL 2412 17.240 52.990 53.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8812 ATOM 8808 HW1 SOL 2412 17.460 53.830 52.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8813 ATOM 8809 HW2 SOL 2412 17.990 52.780 54.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8814 ATOM 8810 OW SOL 2413 7.770 45.770 55.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8815 ATOM 8811 HW1 SOL 2413 7.870 44.920 55.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8816 ATOM 8812 HW2 SOL 2413 8.400 46.450 55.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8817 ATOM 8813 OW SOL 2414 15.400 38.550 38.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8818 ATOM 8814 HW1 SOL 2414 15.440 37.760 37.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8819 ATOM 8815 HW2 SOL 2414 14.480 38.940 38.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8820 ATOM 8816 OW SOL 2415 13.420 46.470 35.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8821 ATOM 8817 HW1 SOL 2415 13.600 45.510 35.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8822 ATOM 8818 HW2 SOL 2415 13.730 46.660 34.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8823 ATOM 8819 OW SOL 2416 10.450 50.280 45.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8824 ATOM 8820 HW1 SOL 2416 9.700 49.940 44.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8825 ATOM 8821 HW2 SOL 2416 10.610 51.250 44.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8826 ATOM 8822 OW SOL 2417 3.820 48.090 43.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8827 ATOM 8823 HW1 SOL 2417 4.770 47.920 43.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8828 ATOM 8824 HW2 SOL 2417 3.760 48.960 42.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8829 ATOM 8825 OW SOL 2418 4.690 41.470 46.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8830 ATOM 8826 HW1 SOL 2418 3.890 40.970 46.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8831 ATOM 8827 HW2 SOL 2418 4.910 42.210 46.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8832 ATOM 8828 OW SOL 2419 12.360 39.780 53.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8833 ATOM 8829 HW1 SOL 2419 11.870 40.650 53.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8834 ATOM 8830 HW2 SOL 2419 12.410 39.370 54.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8835 ATOM 8831 OW SOL 2420 11.350 37.940 51.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8836 ATOM 8832 HW1 SOL 2420 11.720 38.760 52.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8837 ATOM 8833 HW2 SOL 2420 11.890 37.140 52.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8838 ATOM 8834 OW SOL 2421 71.720 49.130 38.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8839 ATOM 8835 HW1 SOL 2421 70.920 48.650 38.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8840 ATOM 8836 HW2 SOL 2421 72.130 48.570 39.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8841 ATOM 8837 OW SOL 2422 1.240 53.540 46.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8842 ATOM 8838 HW1 SOL 2422 0.370 53.850 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8843 ATOM 8839 HW2 SOL 2422 1.960 53.640 45.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8844 ATOM 8840 OW SOL 2423 5.430 51.910 43.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8845 ATOM 8841 HW1 SOL 2423 5.700 51.520 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8846 ATOM 8842 HW2 SOL 2423 4.970 51.200 43.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8847 ATOM 8843 OW SOL 2424 10.810 44.960 47.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8848 ATOM 8844 HW1 SOL 2424 11.560 44.310 47.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8849 ATOM 8845 HW2 SOL 2424 11.150 45.890 47.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8850 ATOM 8846 OW SOL 2425 71.590 46.010 46.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8851 ATOM 8847 HW1 SOL 2425 71.630 45.540 47.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8852 ATOM 8848 HW2 SOL 2425 72.420 45.810 46.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8853 ATOM 8849 OW SOL 2426 3.020 42.850 53.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8854 ATOM 8850 HW1 SOL 2426 3.550 42.650 52.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8855 ATOM 8851 HW2 SOL 2426 2.820 43.830 53.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8856 ATOM 8852 OW SOL 2427 14.370 47.430 53.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8857 ATOM 8853 HW1 SOL 2427 14.980 48.210 53.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8858 ATOM 8854 HW2 SOL 2427 13.620 47.710 52.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8859 ATOM 8855 OW SOL 2428 4.880 43.150 40.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8860 ATOM 8856 HW1 SOL 2428 4.320 42.650 39.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8861 ATOM 8857 HW2 SOL 2428 5.210 44.000 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8862 ATOM 8858 OW SOL 2429 15.950 43.790 47.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8863 ATOM 8859 HW1 SOL 2429 15.580 42.910 47.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8864 ATOM 8860 HW2 SOL 2429 16.910 43.690 46.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8865 ATOM 8861 OW SOL 2430 2.450 52.320 55.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8866 ATOM 8862 HW1 SOL 2430 1.860 52.510 56.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8867 ATOM 8863 HW2 SOL 2430 2.700 51.360 55.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8868 ATOM 8864 OW SOL 2431 6.270 41.760 49.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8869 ATOM 8865 HW1 SOL 2431 5.810 40.980 49.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8870 ATOM 8866 HW2 SOL 2431 5.780 42.000 48.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8871 ATOM 8867 OW SOL 2432 10.150 53.290 51.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8872 ATOM 8868 HW1 SOL 2432 9.510 53.020 52.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8873 ATOM 8869 HW2 SOL 2432 9.710 53.960 51.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8874 ATOM 8870 OW SOL 2433 3.340 45.150 37.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8875 ATOM 8871 HW1 SOL 2433 3.610 45.710 38.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8876 ATOM 8872 HW2 SOL 2433 2.350 45.170 37.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8877 ATOM 8873 OW SOL 2434 2.740 49.610 51.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8878 ATOM 8874 HW1 SOL 2434 3.360 50.340 51.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8879 ATOM 8875 HW2 SOL 2434 3.140 49.140 52.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8880 ATOM 8876 OW SOL 2435 12.310 47.460 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8881 ATOM 8877 HW1 SOL 2435 12.590 47.430 46.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8882 ATOM 8878 HW2 SOL 2435 11.810 48.310 47.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8883 ATOM 8879 OW SOL 2436 12.450 46.630 38.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8884 ATOM 8880 HW1 SOL 2436 13.050 47.080 39.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8885 ATOM 8881 HW2 SOL 2436 12.390 47.170 37.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8886 ATOM 8882 OW SOL 2437 17.360 54.540 48.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8887 ATOM 8883 HW1 SOL 2437 18.030 55.150 48.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8888 ATOM 8884 HW2 SOL 2437 17.720 53.610 48.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8889 ATOM 8885 OW SOL 2438 12.380 54.260 47.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8890 ATOM 8886 HW1 SOL 2438 12.750 54.920 47.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8891 ATOM 8887 HW2 SOL 2438 12.720 53.350 47.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8892 ATOM 8888 OW SOL 2439 0.850 50.270 48.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8893 ATOM 8889 HW1 SOL 2439 0.750 49.800 48.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8894 ATOM 8890 HW2 SOL 2439 0.230 49.850 47.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8895 ATOM 8891 OW SOL 2440 6.480 53.910 52.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8896 ATOM 8892 HW1 SOL 2440 5.620 53.650 52.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8897 ATOM 8893 HW2 SOL 2440 7.000 54.520 53.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8898 ATOM 8894 OW SOL 2441 16.220 38.280 41.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8899 ATOM 8895 HW1 SOL 2441 16.360 38.530 40.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8900 ATOM 8896 HW2 SOL 2441 16.330 37.290 41.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8901 ATOM 8897 OW SOL 2442 13.320 53.490 41.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8902 ATOM 8898 HW1 SOL 2442 13.830 54.170 40.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8903 ATOM 8899 HW2 SOL 2442 12.580 53.950 41.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8904 ATOM 8900 OW SOL 2443 72.520 56.340 56.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8905 ATOM 8901 HW1 SOL 2443 71.910 55.690 56.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8906 ATOM 8902 HW2 SOL 2443 72.830 55.970 57.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8907 ATOM 8903 OW SOL 2444 12.630 46.360 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8908 ATOM 8904 HW1 SOL 2444 13.510 45.950 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8909 ATOM 8905 HW2 SOL 2444 12.620 47.320 42.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8910 ATOM 8906 OW SOL 2445 7.350 49.220 51.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8911 ATOM 8907 HW1 SOL 2445 8.280 49.030 51.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8912 ATOM 8908 HW2 SOL 2445 6.930 49.900 50.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8913 ATOM 8909 OW SOL 2446 8.870 53.000 36.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8914 ATOM 8910 HW1 SOL 2446 9.080 53.290 35.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8915 ATOM 8911 HW2 SOL 2446 7.920 52.690 36.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8916 ATOM 8912 OW SOL 2447 14.720 54.870 48.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8917 ATOM 8913 HW1 SOL 2447 15.720 54.800 48.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8918 ATOM 8914 HW2 SOL 2447 14.460 55.820 48.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8919 ATOM 8915 OW SOL 2448 18.640 38.450 46.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8920 ATOM 8916 HW1 SOL 2448 18.810 37.500 46.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8921 ATOM 8917 HW2 SOL 2448 17.740 38.730 46.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8922 ATOM 8918 OW SOL 2449 1.020 40.990 41.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8923 ATOM 8919 HW1 SOL 2449 0.140 40.940 42.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8924 ATOM 8920 HW2 SOL 2449 1.010 40.400 40.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8925 ATOM 8921 OW SOL 2450 13.280 53.860 35.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8926 ATOM 8922 HW1 SOL 2450 13.290 53.160 36.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8927 ATOM 8923 HW2 SOL 2450 12.610 53.600 34.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8928 ATOM 8924 OW SOL 2451 8.910 48.510 48.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8929 ATOM 8925 HW1 SOL 2451 7.970 48.520 48.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8930 ATOM 8926 HW2 SOL 2451 9.000 47.860 49.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8931 ATOM 8927 OW SOL 2452 10.010 45.820 38.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8932 ATOM 8928 HW1 SOL 2452 10.970 46.010 38.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8933 ATOM 8929 HW2 SOL 2452 9.630 45.250 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8934 ATOM 8930 OW SOL 2453 16.010 53.230 35.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8935 ATOM 8931 HW1 SOL 2453 15.070 53.360 35.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8936 ATOM 8932 HW2 SOL 2453 16.630 53.280 35.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8937 ATOM 8933 OW SOL 2454 5.120 48.720 53.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8938 ATOM 8934 HW1 SOL 2454 5.830 49.050 52.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8939 ATOM 8935 HW2 SOL 2454 5.010 47.730 53.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8940 ATOM 8936 OW SOL 2455 15.050 49.970 49.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8941 ATOM 8937 HW1 SOL 2455 15.930 50.300 50.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8942 ATOM 8938 HW2 SOL 2455 14.410 50.740 49.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8943 ATOM 8939 OW SOL 2456 9.680 47.800 41.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8944 ATOM 8940 HW1 SOL 2456 9.750 47.550 42.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8945 ATOM 8941 HW2 SOL 2456 10.470 47.430 41.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8946 ATOM 8942 OW SOL 2457 9.420 40.340 45.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8947 ATOM 8943 HW1 SOL 2457 8.650 39.720 45.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8948 ATOM 8944 HW2 SOL 2457 9.450 40.590 46.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8949 ATOM 8945 OW SOL 2458 6.420 54.290 39.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8950 ATOM 8946 HW1 SOL 2458 5.890 54.710 38.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8951 ATOM 8947 HW2 SOL 2458 7.390 54.460 38.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8952 ATOM 8948 OW SOL 2459 17.320 40.460 49.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8953 ATOM 8949 HW1 SOL 2459 17.810 41.260 50.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8954 ATOM 8950 HW2 SOL 2459 17.960 39.830 49.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8955 ATOM 8951 OW SOL 2460 4.160 52.990 40.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8956 ATOM 8952 HW1 SOL 2460 4.420 53.200 41.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8957 ATOM 8953 HW2 SOL 2460 4.950 53.080 39.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8958 ATOM 8954 OW SOL 2461 1.370 47.820 54.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8959 ATOM 8955 HW1 SOL 2461 0.480 47.390 54.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8960 ATOM 8956 HW2 SOL 2461 2.090 47.130 54.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8961 ATOM 8957 OW SOL 2462 7.590 38.910 51.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8962 ATOM 8958 HW1 SOL 2462 8.350 38.650 50.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8963 ATOM 8959 HW2 SOL 2462 7.960 39.310 52.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8964 ATOM 8960 OW SOL 2463 1.270 40.780 37.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8965 ATOM 8961 HW1 SOL 2463 1.700 40.420 36.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8966 ATOM 8962 HW2 SOL 2463 0.390 41.190 37.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8967 ATOM 8963 OW SOL 2464 12.960 45.620 49.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8968 ATOM 8964 HW1 SOL 2464 12.680 46.520 49.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8969 ATOM 8965 HW2 SOL 2464 13.960 45.560 49.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8970 ATOM 8966 OW SOL 2465 72.380 39.400 39.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8971 ATOM 8967 HW1 SOL 2465 72.830 39.440 38.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8972 ATOM 8968 HW2 SOL 2465 72.130 38.450 39.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8973 ATOM 8969 OW SOL 2466 12.320 52.130 37.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8974 ATOM 8970 HW1 SOL 2466 11.770 51.620 36.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8975 ATOM 8971 HW2 SOL 2466 12.370 51.620 38.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8976 ATOM 8972 OW SOL 2467 6.590 46.710 50.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8977 ATOM 8973 HW1 SOL 2467 6.880 47.590 50.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8978 ATOM 8974 HW2 SOL 2467 7.380 46.240 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8979 ATOM 8975 OW SOL 2468 15.190 55.030 45.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8980 ATOM 8976 HW1 SOL 2468 16.050 54.530 45.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8981 ATOM 8977 HW2 SOL 2468 14.480 54.450 46.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8982 ATOM 8978 OW SOL 2469 6.920 43.920 53.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8983 ATOM 8979 HW1 SOL 2469 7.890 44.160 53.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8984 ATOM 8980 HW2 SOL 2469 6.780 43.190 53.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8985 ATOM 8981 OW SOL 2470 16.220 49.150 53.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8986 ATOM 8982 HW1 SOL 2470 16.270 49.710 54.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8987 ATOM 8983 HW2 SOL 2470 16.990 49.350 52.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8988 ATOM 8984 OW SOL 2471 4.160 52.760 53.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8989 ATOM 8985 HW1 SOL 2471 3.620 52.600 52.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8990 ATOM 8986 HW2 SOL 2471 3.760 52.250 54.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8991 ATOM 8987 OW SOL 2472 15.580 45.600 48.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8992 ATOM 8988 HW1 SOL 2472 15.720 44.850 48.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8993 ATOM 8989 HW2 SOL 2472 15.530 46.460 48.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8994 ATOM 8990 OW SOL 2473 11.160 39.400 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8995 ATOM 8991 HW1 SOL 2473 11.990 38.840 42.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8996 ATOM 8992 HW2 SOL 2473 11.410 40.370 42.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8997 ATOM 8993 OW SOL 2474 3.150 44.400 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8998 ATOM 8994 HW1 SOL 2474 4.110 44.200 44.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
8999 ATOM 8995 HW2 SOL 2474 2.820 43.810 43.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9000 ATOM 8996 OW SOL 2475 16.840 40.490 54.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9001 ATOM 8997 HW1 SOL 2475 16.830 41.230 53.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9002 ATOM 8998 HW2 SOL 2475 16.020 39.930 53.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9003 ATOM 8999 OW SOL 2476 17.710 46.130 50.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9004 ATOM 9000 HW1 SOL 2476 18.080 47.060 50.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9005 ATOM 9001 HW2 SOL 2476 16.990 46.090 49.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9006 ATOM 9002 OW SOL 2477 9.700 50.410 36.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9007 ATOM 9003 HW1 SOL 2477 9.700 49.980 37.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9008 ATOM 9004 HW2 SOL 2477 9.360 51.350 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9009 ATOM 9005 OW SOL 2478 7.360 51.470 46.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9010 ATOM 9006 HW1 SOL 2478 7.610 52.290 45.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9011 ATOM 9007 HW2 SOL 2478 7.790 51.500 46.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9012 ATOM 9008 OW SOL 2479 9.910 47.010 44.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9013 ATOM 9009 HW1 SOL 2479 9.930 46.010 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9014 ATOM 9010 HW2 SOL 2479 9.210 47.290 45.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9015 ATOM 9011 OW SOL 2480 11.940 48.060 36.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9016 ATOM 9012 HW1 SOL 2480 11.220 48.450 35.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9017 ATOM 9013 HW2 SOL 2480 12.500 47.430 35.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9018 ATOM 9014 OW SOL 2481 17.330 53.170 41.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9019 ATOM 9015 HW1 SOL 2481 17.510 54.070 42.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9020 ATOM 9016 HW2 SOL 2481 17.000 52.540 42.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9021 ATOM 9017 OW SOL 2482 2.290 49.240 56.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9022 ATOM 9018 HW1 SOL 2482 2.010 48.750 55.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9023 ATOM 9019 HW2 SOL 2482 1.550 49.190 57.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9024 ATOM 9020 OW SOL 2483 0.880 48.420 40.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9025 ATOM 9021 HW1 SOL 2483 1.480 47.660 41.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9026 ATOM 9022 HW2 SOL 2483 1.410 49.130 40.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9027 ATOM 9023 OW SOL 2484 8.560 52.140 53.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9028 ATOM 9024 HW1 SOL 2484 8.330 51.330 54.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9029 ATOM 9025 HW2 SOL 2484 7.730 52.530 53.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9030 ATOM 9026 OW SOL 2485 19.600 38.720 49.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9031 ATOM 9027 HW1 SOL 2485 20.580 38.870 49.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9032 ATOM 9028 HW2 SOL 2485 19.130 38.790 48.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9033 ATOM 9029 OW SOL 2486 2.560 43.030 41.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9034 ATOM 9030 HW1 SOL 2486 3.380 43.120 41.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9035 ATOM 9031 HW2 SOL 2486 2.160 42.120 41.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9036 ATOM 9032 OW SOL 2487 17.550 51.500 46.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9037 ATOM 9033 HW1 SOL 2487 16.550 51.490 46.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9038 ATOM 9034 HW2 SOL 2487 17.850 51.070 45.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9039 ATOM 9035 OW SOL 2488 2.400 43.540 48.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9040 ATOM 9036 HW1 SOL 2488 2.360 43.240 49.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9041 ATOM 9037 HW2 SOL 2488 3.320 43.380 48.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9042 ATOM 9038 OW SOL 2489 7.130 53.420 41.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9043 ATOM 9039 HW1 SOL 2489 6.680 54.140 41.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9044 ATOM 9040 HW2 SOL 2489 6.460 53.020 42.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9045 ATOM 9041 OW SOL 2490 15.040 41.420 47.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9046 ATOM 9042 HW1 SOL 2490 15.780 41.260 48.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9047 ATOM 9043 HW2 SOL 2490 14.160 41.380 48.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9048 ATOM 9044 OW SOL 2491 10.440 36.310 47.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9049 ATOM 9045 HW1 SOL 2491 9.960 35.740 46.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9050 ATOM 9046 HW2 SOL 2491 11.410 36.340 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9051 ATOM 9047 OW SOL 2492 9.340 48.980 38.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9052 ATOM 9048 HW1 SOL 2492 9.630 48.050 38.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9053 ATOM 9049 HW2 SOL 2492 9.720 49.250 39.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9054 ATOM 9050 OW SOL 2493 6.080 50.910 49.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9055 ATOM 9051 HW1 SOL 2493 5.410 51.500 49.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9056 ATOM 9052 HW2 SOL 2493 6.850 51.460 49.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9057 ATOM 9053 OW SOL 2494 12.500 36.530 39.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9058 ATOM 9054 HW1 SOL 2494 12.570 37.140 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9059 ATOM 9055 HW2 SOL 2494 11.670 35.980 39.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9060 ATOM 9056 OW SOL 2495 11.700 42.090 40.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9061 ATOM 9057 HW1 SOL 2495 11.630 42.720 41.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9062 ATOM 9058 HW2 SOL 2495 12.200 42.520 39.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9063 ATOM 9059 OW SOL 2496 16.190 40.110 45.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9064 ATOM 9060 HW1 SOL 2496 15.590 40.640 46.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9065 ATOM 9061 HW2 SOL 2496 16.190 40.530 45.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9066 ATOM 9062 OW SOL 2497 0.580 47.560 35.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9067 ATOM 9063 HW1 SOL 2497 0.720 46.610 36.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9068 ATOM 9064 HW2 SOL 2497 -0.370 47.820 35.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9069 ATOM 9065 OW SOL 2498 9.760 54.620 38.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9070 ATOM 9066 HW1 SOL 2498 9.440 53.890 37.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9071 ATOM 9067 HW2 SOL 2498 9.280 55.470 38.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9072 ATOM 9068 OW SOL 2499 2.850 45.340 56.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9073 ATOM 9069 HW1 SOL 2499 1.900 45.110 56.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9074 ATOM 9070 HW2 SOL 2499 2.980 45.380 55.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9075 ATOM 9071 OW SOL 2500 2.060 38.390 65.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9076 ATOM 9072 HW1 SOL 2500 2.050 38.270 66.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9077 ATOM 9073 HW2 SOL 2500 1.320 37.860 65.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9078 ATOM 9074 OW SOL 2501 1.150 41.500 62.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9079 ATOM 9075 HW1 SOL 2501 0.770 41.640 63.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9080 ATOM 9076 HW2 SOL 2501 0.530 40.910 61.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9081 ATOM 9077 OW SOL 2502 4.840 49.780 65.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9082 ATOM 9078 HW1 SOL 2502 4.280 48.960 65.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9083 ATOM 9079 HW2 SOL 2502 4.850 50.280 66.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9084 ATOM 9080 OW SOL 2503 15.810 51.720 62.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9085 ATOM 9081 HW1 SOL 2503 15.140 51.800 63.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9086 ATOM 9082 HW2 SOL 2503 15.350 51.840 61.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9087 ATOM 9083 OW SOL 2504 10.840 44.710 61.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9088 ATOM 9084 HW1 SOL 2504 11.710 44.960 61.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9089 ATOM 9085 HW2 SOL 2504 10.080 45.040 61.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9090 ATOM 9086 OW SOL 2505 15.590 42.650 56.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9091 ATOM 9087 HW1 SOL 2505 16.540 42.530 56.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9092 ATOM 9088 HW2 SOL 2505 15.250 41.780 57.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9093 ATOM 9089 OW SOL 2506 7.540 51.140 67.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9094 ATOM 9090 HW1 SOL 2506 6.990 50.580 68.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9095 ATOM 9091 HW2 SOL 2506 7.440 50.810 66.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9096 ATOM 9092 OW SOL 2507 7.350 46.320 72.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9097 ATOM 9093 HW1 SOL 2507 7.580 47.050 72.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9098 ATOM 9094 HW2 SOL 2507 8.020 45.580 72.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9099 ATOM 9095 OW SOL 2508 8.540 46.180 62.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9100 ATOM 9096 HW1 SOL 2508 8.420 47.070 62.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9101 ATOM 9097 HW2 SOL 2508 7.750 45.600 62.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9102 ATOM 9098 OW SOL 2509 2.590 48.050 65.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9103 ATOM 9099 HW1 SOL 2509 1.660 48.240 65.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9104 ATOM 9100 HW2 SOL 2509 2.620 48.190 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9105 ATOM 9101 OW SOL 2510 15.020 51.820 69.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9106 ATOM 9102 HW1 SOL 2510 15.110 52.770 69.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9107 ATOM 9103 HW2 SOL 2510 14.050 51.560 69.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9108 ATOM 9104 OW SOL 2511 3.250 40.650 70.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9109 ATOM 9105 HW1 SOL 2511 3.640 40.770 71.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9110 ATOM 9106 HW2 SOL 2511 3.120 39.680 69.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9111 ATOM 9107 OW SOL 2512 14.450 41.790 63.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9112 ATOM 9108 HW1 SOL 2512 13.460 41.750 62.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9113 ATOM 9109 HW2 SOL 2512 14.700 42.670 63.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9114 ATOM 9110 OW SOL 2513 0.370 54.680 58.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9115 ATOM 9111 HW1 SOL 2513 0.980 55.290 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9116 ATOM 9112 HW2 SOL 2513 -0.410 54.430 59.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9117 ATOM 9113 OW SOL 2514 1.130 52.220 58.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9118 ATOM 9114 HW1 SOL 2514 0.990 53.180 58.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9119 ATOM 9115 HW2 SOL 2514 1.710 51.780 59.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9120 ATOM 9116 OW SOL 2515 4.730 46.400 63.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9121 ATOM 9117 HW1 SOL 2515 4.790 46.120 64.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9122 ATOM 9118 HW2 SOL 2515 4.310 47.300 63.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9123 ATOM 9119 OW SOL 2516 5.180 52.800 70.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9124 ATOM 9120 HW1 SOL 2516 4.360 53.010 70.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9125 ATOM 9121 HW2 SOL 2516 5.650 53.660 70.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9126 ATOM 9122 OW SOL 2517 6.700 46.400 58.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9127 ATOM 9123 HW1 SOL 2517 6.950 45.900 57.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9128 ATOM 9124 HW2 SOL 2517 7.310 47.180 58.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9129 ATOM 9125 OW SOL 2518 16.850 37.520 70.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9130 ATOM 9126 HW1 SOL 2518 16.290 37.700 69.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9131 ATOM 9127 HW2 SOL 2518 17.080 36.540 70.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9132 ATOM 9128 OW SOL 2519 2.900 43.410 61.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9133 ATOM 9129 HW1 SOL 2519 2.290 42.630 61.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9134 ATOM 9130 HW2 SOL 2519 2.610 43.940 62.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9135 ATOM 9131 OW SOL 2520 17.660 54.120 60.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9136 ATOM 9132 HW1 SOL 2520 18.600 53.800 60.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9137 ATOM 9133 HW2 SOL 2520 17.630 55.060 60.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9138 ATOM 9134 OW SOL 2521 71.610 51.350 56.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9139 ATOM 9135 HW1 SOL 2521 70.760 50.980 56.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9140 ATOM 9136 HW2 SOL 2521 72.360 51.200 57.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9141 ATOM 9137 OW SOL 2522 15.260 48.350 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9142 ATOM 9138 HW1 SOL 2522 14.970 47.710 62.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9143 ATOM 9139 HW2 SOL 2522 16.170 48.710 62.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9144 ATOM 9140 OW SOL 2523 16.090 48.740 60.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9145 ATOM 9141 HW1 SOL 2523 16.160 47.750 60.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9146 ATOM 9142 HW2 SOL 2523 16.820 49.120 60.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9147 ATOM 9143 OW SOL 2524 3.260 46.940 71.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9148 ATOM 9144 HW1 SOL 2524 3.070 47.180 70.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9149 ATOM 9145 HW2 SOL 2524 2.820 46.080 71.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9150 ATOM 9146 OW SOL 2525 7.040 48.190 63.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9151 ATOM 9147 HW1 SOL 2525 6.460 47.380 63.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9152 ATOM 9148 HW2 SOL 2525 6.660 48.860 62.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9153 ATOM 9149 OW SOL 2526 8.980 48.550 71.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9154 ATOM 9150 HW1 SOL 2526 9.080 48.140 70.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9155 ATOM 9151 HW2 SOL 2526 9.830 48.440 71.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9156 ATOM 9152 OW SOL 2527 6.490 38.250 59.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9157 ATOM 9153 HW1 SOL 2527 7.220 38.730 59.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9158 ATOM 9154 HW2 SOL 2527 5.640 38.300 59.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9159 ATOM 9155 OW SOL 2528 2.450 46.450 68.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9160 ATOM 9156 HW1 SOL 2528 2.510 45.560 68.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9161 ATOM 9157 HW2 SOL 2528 1.840 47.050 68.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9162 ATOM 9158 OW SOL 2529 16.220 46.820 57.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9163 ATOM 9159 HW1 SOL 2529 15.270 47.020 57.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9164 ATOM 9160 HW2 SOL 2529 16.310 46.750 58.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9165 ATOM 9161 OW SOL 2530 12.890 54.520 68.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9166 ATOM 9162 HW1 SOL 2530 13.470 55.270 69.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9167 ATOM 9163 HW2 SOL 2530 11.930 54.780 68.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9168 ATOM 9164 OW SOL 2531 3.930 40.590 1.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9169 ATOM 9165 HW1 SOL 2531 3.450 41.470 1.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9170 ATOM 9166 HW2 SOL 2531 4.330 40.460 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9171 ATOM 9167 OW SOL 2532 13.630 51.350 64.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9172 ATOM 9168 HW1 SOL 2532 13.680 51.800 65.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9173 ATOM 9169 HW2 SOL 2532 13.630 50.360 64.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9174 ATOM 9170 OW SOL 2533 15.580 55.090 62.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9175 ATOM 9171 HW1 SOL 2533 15.600 54.300 61.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9176 ATOM 9172 HW2 SOL 2533 15.870 55.910 61.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9177 ATOM 9173 OW SOL 2534 6.800 43.550 59.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9178 ATOM 9174 HW1 SOL 2534 6.530 44.520 59.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9179 ATOM 9175 HW2 SOL 2534 6.380 43.050 59.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9180 ATOM 9176 OW SOL 2535 12.860 41.010 66.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9181 ATOM 9177 HW1 SOL 2535 12.080 40.710 66.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9182 ATOM 9178 HW2 SOL 2535 13.360 40.220 65.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9183 ATOM 9179 OW SOL 2536 15.060 53.100 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9184 ATOM 9180 HW1 SOL 2536 16.040 53.290 60.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9185 ATOM 9181 HW2 SOL 2536 14.790 53.210 59.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9186 ATOM 9182 OW SOL 2537 8.240 41.740 71.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9187 ATOM 9183 HW1 SOL 2537 8.720 41.170 71.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9188 ATOM 9184 HW2 SOL 2537 7.720 41.160 70.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9189 ATOM 9185 OW SOL 2538 10.890 45.220 70.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9190 ATOM 9186 HW1 SOL 2538 10.290 44.730 70.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9191 ATOM 9187 HW2 SOL 2538 10.350 45.610 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9192 ATOM 9188 OW SOL 2539 11.690 39.670 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9193 ATOM 9189 HW1 SOL 2539 12.120 40.520 69.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9194 ATOM 9190 HW2 SOL 2539 10.910 39.890 69.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9195 ATOM 9191 OW SOL 2540 11.210 43.990 58.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9196 ATOM 9192 HW1 SOL 2540 11.080 44.390 59.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9197 ATOM 9193 HW2 SOL 2540 10.420 43.430 58.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9198 ATOM 9194 OW SOL 2541 2.680 44.890 66.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9199 ATOM 9195 HW1 SOL 2541 2.800 43.910 66.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9200 ATOM 9196 HW2 SOL 2541 3.510 45.360 65.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9201 ATOM 9197 OW SOL 2542 1.210 57.540 71.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9202 ATOM 9198 HW1 SOL 2542 0.670 57.790 72.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9203 ATOM 9199 HW2 SOL 2542 0.830 56.710 71.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9204 ATOM 9200 OW SOL 2543 7.780 40.050 56.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9205 ATOM 9201 HW1 SOL 2543 8.320 40.000 55.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9206 ATOM 9202 HW2 SOL 2543 6.840 39.780 56.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9207 ATOM 9203 OW SOL 2544 13.400 47.700 60.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9208 ATOM 9204 HW1 SOL 2544 14.240 48.230 60.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9209 ATOM 9205 HW2 SOL 2544 12.660 48.310 60.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9210 ATOM 9206 OW SOL 2545 5.550 36.630 64.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9211 ATOM 9207 HW1 SOL 2545 5.230 37.460 65.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9212 ATOM 9208 HW2 SOL 2545 5.880 36.870 63.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9213 ATOM 9209 OW SOL 2546 9.390 50.320 63.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9214 ATOM 9210 HW1 SOL 2546 10.080 51.000 63.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9215 ATOM 9211 HW2 SOL 2546 9.340 49.640 63.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9216 ATOM 9212 OW SOL 2547 2.290 54.220 62.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9217 ATOM 9213 HW1 SOL 2547 1.350 53.900 62.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9218 ATOM 9214 HW2 SOL 2547 2.800 54.050 63.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9219 ATOM 9215 OW SOL 2548 18.640 47.830 64.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9220 ATOM 9216 HW1 SOL 2548 18.810 46.880 64.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9221 ATOM 9217 HW2 SOL 2548 17.720 47.910 64.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9222 ATOM 9218 OW SOL 2549 12.310 52.100 70.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9223 ATOM 9219 HW1 SOL 2549 11.470 51.670 69.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9224 ATOM 9220 HW2 SOL 2549 12.510 52.910 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9225 ATOM 9221 OW SOL 2550 3.920 46.710 58.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9226 ATOM 9222 HW1 SOL 2550 4.900 46.890 58.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9227 ATOM 9223 HW2 SOL 2550 3.610 46.260 57.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9228 ATOM 9224 OW SOL 2551 15.150 45.190 64.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9229 ATOM 9225 HW1 SOL 2551 15.160 44.540 65.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9230 ATOM 9226 HW2 SOL 2551 16.070 45.510 64.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9231 ATOM 9227 OW SOL 2552 1.950 49.820 1.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9232 ATOM 9228 HW1 SOL 2552 2.430 50.220 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9233 ATOM 9229 HW2 SOL 2552 1.740 48.860 1.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9234 ATOM 9230 OW SOL 2553 11.300 56.490 57.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9235 ATOM 9231 HW1 SOL 2553 10.830 57.310 57.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9236 ATOM 9232 HW2 SOL 2553 11.390 55.840 58.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9237 ATOM 9233 OW SOL 2554 0.310 39.430 68.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9238 ATOM 9234 HW1 SOL 2554 0.140 40.250 69.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9239 ATOM 9235 HW2 SOL 2554 0.290 38.620 69.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9240 ATOM 9236 OW SOL 2555 15.480 50.580 55.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9241 ATOM 9237 HW1 SOL 2555 15.440 51.530 55.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9242 ATOM 9238 HW2 SOL 2555 14.550 50.230 55.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9243 ATOM 9239 OW SOL 2556 5.090 53.810 61.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9244 ATOM 9240 HW1 SOL 2556 5.200 52.830 61.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9245 ATOM 9241 HW2 SOL 2556 4.130 54.060 61.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9246 ATOM 9242 OW SOL 2557 12.430 37.030 59.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9247 ATOM 9243 HW1 SOL 2557 12.230 36.880 58.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9248 ATOM 9244 HW2 SOL 2557 13.390 36.810 59.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9249 ATOM 9245 OW SOL 2558 3.530 54.920 68.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9250 ATOM 9246 HW1 SOL 2558 4.440 55.110 69.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9251 ATOM 9247 HW2 SOL 2558 3.530 55.140 67.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9252 ATOM 9248 OW SOL 2559 9.690 54.190 64.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9253 ATOM 9249 HW1 SOL 2559 10.390 53.570 64.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9254 ATOM 9250 HW2 SOL 2559 8.890 54.170 63.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9255 ATOM 9251 OW SOL 2560 5.200 42.270 60.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9256 ATOM 9252 HW1 SOL 2560 4.960 41.390 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9257 ATOM 9253 HW2 SOL 2560 4.370 42.740 61.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9258 ATOM 9254 OW SOL 2561 5.090 38.980 55.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9259 ATOM 9255 HW1 SOL 2561 4.620 38.100 55.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9260 ATOM 9256 HW2 SOL 2561 4.490 39.690 55.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9261 ATOM 9257 OW SOL 2562 5.350 40.710 71.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9262 ATOM 9258 HW1 SOL 2562 5.920 41.520 72.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9263 ATOM 9259 HW2 SOL 2562 5.930 39.900 71.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9264 ATOM 9260 OW SOL 2563 9.050 53.290 67.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9265 ATOM 9261 HW1 SOL 2563 8.630 52.390 67.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9266 ATOM 9262 HW2 SOL 2563 9.360 53.620 66.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9267 ATOM 9263 OW SOL 2564 12.950 42.240 70.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9268 ATOM 9264 HW1 SOL 2564 13.700 41.900 69.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9269 ATOM 9265 HW2 SOL 2564 12.400 42.890 69.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9270 ATOM 9266 OW SOL 2565 7.750 49.640 65.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9271 ATOM 9267 HW1 SOL 2565 8.690 49.330 65.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9272 ATOM 9268 HW2 SOL 2565 7.220 49.010 64.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9273 ATOM 9269 OW SOL 2566 8.470 41.080 63.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9274 ATOM 9270 HW1 SOL 2566 8.860 41.710 62.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9275 ATOM 9271 HW2 SOL 2566 8.660 40.140 63.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9276 ATOM 9272 OW SOL 2567 3.190 35.800 59.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9277 ATOM 9273 HW1 SOL 2567 3.370 34.910 59.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9278 ATOM 9274 HW2 SOL 2567 2.940 36.450 60.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9279 ATOM 9275 OW SOL 2568 13.020 49.730 56.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9280 ATOM 9276 HW1 SOL 2568 13.450 48.990 56.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9281 ATOM 9277 HW2 SOL 2568 12.350 50.190 56.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9282 ATOM 9278 OW SOL 2569 1.760 38.840 56.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9283 ATOM 9279 HW1 SOL 2569 2.310 39.670 56.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9284 ATOM 9280 HW2 SOL 2569 2.360 38.050 56.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9285 ATOM 9281 OW SOL 2570 8.850 39.820 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9286 ATOM 9282 HW1 SOL 2570 8.550 39.980 58.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9287 ATOM 9283 HW2 SOL 2570 9.800 39.490 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9288 ATOM 9284 OW SOL 2571 9.150 44.220 72.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9289 ATOM 9285 HW1 SOL 2571 8.700 43.370 71.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9290 ATOM 9286 HW2 SOL 2571 9.700 44.060 73.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9291 ATOM 9287 OW SOL 2572 11.450 52.160 63.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9292 ATOM 9288 HW1 SOL 2572 11.890 52.330 62.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9293 ATOM 9289 HW2 SOL 2572 12.110 51.720 63.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9294 ATOM 9290 OW SOL 2573 6.490 44.530 62.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9295 ATOM 9291 HW1 SOL 2573 5.690 45.120 62.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9296 ATOM 9292 HW2 SOL 2573 6.290 43.640 62.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9297 ATOM 9293 OW SOL 2574 11.520 55.410 60.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9298 ATOM 9294 HW1 SOL 2574 12.020 55.770 60.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9299 ATOM 9295 HW2 SOL 2574 10.540 55.400 60.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9300 ATOM 9296 OW SOL 2575 10.630 42.000 53.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9301 ATOM 9297 HW1 SOL 2575 10.340 42.890 53.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9302 ATOM 9298 HW2 SOL 2575 10.970 42.130 54.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9303 ATOM 9299 OW SOL 2576 0.690 41.660 70.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9304 ATOM 9300 HW1 SOL 2576 1.620 41.540 70.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9305 ATOM 9301 HW2 SOL 2576 0.340 42.560 70.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9306 ATOM 9302 OW SOL 2577 5.470 38.150 69.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9307 ATOM 9303 HW1 SOL 2577 4.890 38.220 68.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9308 ATOM 9304 HW2 SOL 2577 5.010 37.620 69.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9309 ATOM 9305 OW SOL 2578 9.070 42.220 60.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9310 ATOM 9306 HW1 SOL 2578 8.740 42.920 60.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9311 ATOM 9307 HW2 SOL 2578 8.960 41.320 60.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9312 ATOM 9308 OW SOL 2579 8.560 38.630 61.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9313 ATOM 9309 HW1 SOL 2579 8.620 38.930 61.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9314 ATOM 9310 HW2 SOL 2579 9.320 38.000 62.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9315 ATOM 9311 OW SOL 2580 13.060 48.320 64.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9316 ATOM 9312 HW1 SOL 2580 12.940 47.420 65.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9317 ATOM 9313 HW2 SOL 2580 13.860 48.300 64.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9318 ATOM 9314 OW SOL 2581 15.430 43.160 66.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9319 ATOM 9315 HW1 SOL 2581 15.020 42.320 66.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9320 ATOM 9316 HW2 SOL 2581 16.200 43.440 66.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9321 ATOM 9317 OW SOL 2582 16.060 43.400 59.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9322 ATOM 9318 HW1 SOL 2582 16.300 42.550 59.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9323 ATOM 9319 HW2 SOL 2582 15.330 43.230 58.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9324 ATOM 9320 OW SOL 2583 5.500 52.700 57.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9325 ATOM 9321 HW1 SOL 2583 4.930 53.470 57.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9326 ATOM 9322 HW2 SOL 2583 5.220 51.880 56.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9327 ATOM 9323 OW SOL 2584 17.670 49.820 61.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9328 ATOM 9324 HW1 SOL 2584 18.290 50.340 61.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9329 ATOM 9325 HW2 SOL 2584 17.140 50.450 62.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9330 ATOM 9326 OW SOL 2585 13.380 43.190 55.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9331 ATOM 9327 HW1 SOL 2585 12.640 42.590 55.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9332 ATOM 9328 HW2 SOL 2585 14.220 42.940 55.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9333 ATOM 9329 OW SOL 2586 4.060 40.420 58.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9334 ATOM 9330 HW1 SOL 2586 4.490 40.080 57.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9335 ATOM 9331 HW2 SOL 2586 3.810 41.380 58.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9336 ATOM 9332 OW SOL 2587 15.960 49.600 71.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9337 ATOM 9333 HW1 SOL 2587 16.300 50.450 71.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9338 ATOM 9334 HW2 SOL 2587 14.980 49.680 71.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9339 ATOM 9335 OW SOL 2588 6.390 51.130 0.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9340 ATOM 9336 HW1 SOL 2588 5.740 50.370 -0.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9341 ATOM 9337 HW2 SOL 2588 6.340 51.650 -0.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9342 ATOM 9338 OW SOL 2589 9.830 51.290 69.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9343 ATOM 9339 HW1 SOL 2589 9.340 50.920 70.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9344 ATOM 9340 HW2 SOL 2589 9.180 51.450 68.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9345 ATOM 9341 OW SOL 2590 16.310 48.110 65.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9346 ATOM 9342 HW1 SOL 2590 16.100 48.660 66.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9347 ATOM 9343 HW2 SOL 2590 15.710 48.370 65.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9348 ATOM 9344 OW SOL 2591 10.490 37.170 69.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9349 ATOM 9345 HW1 SOL 2591 10.620 36.590 69.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9350 ATOM 9346 HW2 SOL 2591 10.900 38.070 69.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9351 ATOM 9347 OW SOL 2592 8.890 47.460 59.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9352 ATOM 9348 HW1 SOL 2592 9.180 47.060 60.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9353 ATOM 9349 HW2 SOL 2592 9.330 46.970 58.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9354 ATOM 9350 OW SOL 2593 6.120 43.410 67.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9355 ATOM 9351 HW1 SOL 2593 6.300 43.810 68.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9356 ATOM 9352 HW2 SOL 2593 5.490 42.650 67.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9357 ATOM 9353 OW SOL 2594 14.270 39.050 68.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9358 ATOM 9354 HW1 SOL 2594 14.810 39.890 68.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9359 ATOM 9355 HW2 SOL 2594 13.300 39.260 69.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9360 ATOM 9356 OW SOL 2595 72.240 51.730 69.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9361 ATOM 9357 HW1 SOL 2595 72.020 52.120 70.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9362 ATOM 9358 HW2 SOL 2595 73.140 52.050 69.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9363 ATOM 9359 OW SOL 2596 1.920 48.210 59.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9364 ATOM 9360 HW1 SOL 2596 1.290 48.510 59.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9365 ATOM 9361 HW2 SOL 2596 2.690 47.730 59.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9366 ATOM 9362 OW SOL 2597 6.160 37.710 62.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9367 ATOM 9363 HW1 SOL 2597 5.440 38.160 61.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9368 ATOM 9364 HW2 SOL 2597 7.020 38.190 62.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9369 ATOM 9365 OW SOL 2598 11.720 49.900 61.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9370 ATOM 9366 HW1 SOL 2598 12.220 50.770 61.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9371 ATOM 9367 HW2 SOL 2598 10.970 49.900 61.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9372 ATOM 9368 OW SOL 2599 13.840 53.430 66.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9373 ATOM 9369 HW1 SOL 2599 13.310 53.780 67.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9374 ATOM 9370 HW2 SOL 2599 14.200 54.180 65.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9375 ATOM 9371 OW SOL 2600 12.980 42.070 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9376 ATOM 9372 HW1 SOL 2600 13.080 42.380 60.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9377 ATOM 9373 HW2 SOL 2600 12.390 42.710 58.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9378 ATOM 9374 OW SOL 2601 2.180 52.360 68.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9379 ATOM 9375 HW1 SOL 2601 2.980 51.930 68.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9380 ATOM 9376 HW2 SOL 2601 2.220 53.350 68.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9381 ATOM 9377 OW SOL 2602 6.000 46.740 69.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9382 ATOM 9378 HW1 SOL 2602 6.700 46.960 70.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9383 ATOM 9379 HW2 SOL 2602 5.150 46.490 70.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9384 ATOM 9380 OW SOL 2603 17.120 45.210 0.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9385 ATOM 9381 HW1 SOL 2603 17.060 46.200 0.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9386 ATOM 9382 HW2 SOL 2603 16.250 44.810 0.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9387 ATOM 9383 OW SOL 2604 5.530 45.660 66.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9388 ATOM 9384 HW1 SOL 2604 6.100 46.390 66.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9389 ATOM 9385 HW2 SOL 2604 5.600 44.850 66.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9390 ATOM 9386 OW SOL 2605 11.930 46.830 67.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9391 ATOM 9387 HW1 SOL 2605 12.270 46.480 68.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9392 ATOM 9388 HW2 SOL 2605 11.910 46.090 66.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9393 ATOM 9389 OW SOL 2606 11.500 41.460 56.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9394 ATOM 9390 HW1 SOL 2606 11.790 40.530 56.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9395 ATOM 9391 HW2 SOL 2606 10.990 41.480 57.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9396 ATOM 9392 OW SOL 2607 2.610 38.120 67.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9397 ATOM 9393 HW1 SOL 2607 1.810 38.620 68.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9398 ATOM 9394 HW2 SOL 2607 2.660 37.230 68.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9399 ATOM 9395 OW SOL 2608 0.380 49.070 69.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9400 ATOM 9396 HW1 SOL 2608 -0.180 48.460 69.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9401 ATOM 9397 HW2 SOL 2608 0.250 50.010 69.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9402 ATOM 9398 OW SOL 2609 7.950 41.310 66.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9403 ATOM 9399 HW1 SOL 2609 8.120 41.130 65.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9404 ATOM 9400 HW2 SOL 2609 7.500 42.190 66.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9405 ATOM 9401 OW SOL 2610 1.440 36.850 61.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9406 ATOM 9402 HW1 SOL 2610 2.170 37.460 62.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9407 ATOM 9403 HW2 SOL 2610 1.390 36.070 62.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9408 ATOM 9404 OW SOL 2611 14.160 40.300 57.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9409 ATOM 9405 HW1 SOL 2611 14.600 39.670 58.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9410 ATOM 9406 HW2 SOL 2611 13.570 40.930 58.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9411 ATOM 9407 OW SOL 2612 11.900 43.950 67.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9412 ATOM 9408 HW1 SOL 2612 10.960 43.620 67.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9413 ATOM 9409 HW2 SOL 2612 12.420 43.340 67.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9414 ATOM 9410 OW SOL 2613 16.800 52.410 72.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9415 ATOM 9411 HW1 SOL 2613 16.670 53.190 71.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9416 ATOM 9412 HW2 SOL 2613 17.670 52.500 72.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9417 ATOM 9413 OW SOL 2614 12.590 38.980 55.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9418 ATOM 9414 HW1 SOL 2614 12.430 38.010 56.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9419 ATOM 9415 HW2 SOL 2614 13.330 39.320 56.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9420 ATOM 9416 OW SOL 2615 12.990 46.130 55.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9421 ATOM 9417 HW1 SOL 2615 13.310 45.190 55.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9422 ATOM 9418 HW2 SOL 2615 13.510 46.570 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9423 ATOM 9419 OW SOL 2616 10.180 48.620 65.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9424 ATOM 9420 HW1 SOL 2616 9.880 47.740 65.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9425 ATOM 9421 HW2 SOL 2616 11.170 48.600 64.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9426 ATOM 9422 OW SOL 2617 3.280 42.100 65.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9427 ATOM 9423 HW1 SOL 2617 3.940 41.930 64.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9428 ATOM 9424 HW2 SOL 2617 3.730 42.000 66.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9429 ATOM 9425 OW SOL 2618 4.730 38.910 66.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9430 ATOM 9426 HW1 SOL 2618 3.810 38.530 66.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9431 ATOM 9427 HW2 SOL 2618 4.880 39.650 65.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9432 ATOM 9428 OW SOL 2619 12.200 41.840 0.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9433 ATOM 9429 HW1 SOL 2619 12.830 42.060 0.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9434 ATOM 9430 HW2 SOL 2619 12.680 41.950 -0.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9435 ATOM 9431 OW SOL 2620 69.520 50.040 57.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9436 ATOM 9432 HW1 SOL 2620 68.760 50.570 57.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9437 ATOM 9433 HW2 SOL 2620 69.170 49.220 58.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9438 ATOM 9434 OW SOL 2621 3.650 53.510 64.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9439 ATOM 9435 HW1 SOL 2621 3.140 52.960 65.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9440 ATOM 9436 HW2 SOL 2621 4.210 52.910 63.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9441 ATOM 9437 OW SOL 2622 5.920 51.530 63.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9442 ATOM 9438 HW1 SOL 2622 5.900 50.990 64.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9443 ATOM 9439 HW2 SOL 2622 6.840 51.880 63.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9444 ATOM 9440 OW SOL 2623 9.230 44.280 68.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9445 ATOM 9441 HW1 SOL 2623 8.900 44.550 67.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9446 ATOM 9442 HW2 SOL 2623 8.460 44.220 68.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9447 ATOM 9443 OW SOL 2624 0.560 41.600 64.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9448 ATOM 9444 HW1 SOL 2624 0.050 41.090 65.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9449 ATOM 9445 HW2 SOL 2624 1.520 41.680 65.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9450 ATOM 9446 OW SOL 2625 9.080 42.650 57.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9451 ATOM 9447 HW1 SOL 2625 8.950 41.880 56.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9452 ATOM 9448 HW2 SOL 2625 8.250 42.800 58.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9453 ATOM 9449 OW SOL 2626 17.950 43.530 67.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9454 ATOM 9450 HW1 SOL 2626 18.310 43.530 68.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9455 ATOM 9451 HW2 SOL 2626 18.670 43.240 66.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9456 ATOM 9452 OW SOL 2627 0.400 53.820 71.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9457 ATOM 9453 HW1 SOL 2627 0.210 54.620 71.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9458 ATOM 9454 HW2 SOL 2627 -0.470 53.390 72.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9459 ATOM 9455 OW SOL 2628 7.290 40.120 69.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9460 ATOM 9456 HW1 SOL 2628 6.590 39.400 69.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9461 ATOM 9457 HW2 SOL 2628 7.600 40.300 68.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9462 ATOM 9458 OW SOL 2629 10.180 54.750 69.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9463 ATOM 9459 HW1 SOL 2629 9.790 53.850 69.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9464 ATOM 9460 HW2 SOL 2629 10.370 54.800 70.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9465 ATOM 9461 OW SOL 2630 4.170 43.020 57.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9466 ATOM 9462 HW1 SOL 2630 5.020 43.180 58.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9467 ATOM 9463 HW2 SOL 2630 3.700 43.900 57.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9468 ATOM 9464 OW SOL 2631 71.910 46.960 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9469 ATOM 9465 HW1 SOL 2631 71.870 46.840 72.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9470 ATOM 9466 HW2 SOL 2631 72.090 46.080 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9471 ATOM 9467 OW SOL 2632 9.730 48.220 68.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9472 ATOM 9468 HW1 SOL 2632 10.400 47.730 67.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9473 ATOM 9469 HW2 SOL 2632 9.970 49.190 68.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9474 ATOM 9470 OW SOL 2633 13.510 47.420 57.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9475 ATOM 9471 HW1 SOL 2633 13.250 46.950 58.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9476 ATOM 9472 HW2 SOL 2633 13.290 46.860 56.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9477 ATOM 9473 OW SOL 2634 17.410 54.310 67.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9478 ATOM 9474 HW1 SOL 2634 17.430 55.300 67.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9479 ATOM 9475 HW2 SOL 2634 17.580 53.840 67.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9480 ATOM 9476 OW SOL 2635 11.670 57.330 65.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9481 ATOM 9477 HW1 SOL 2635 12.320 56.740 65.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9482 ATOM 9478 HW2 SOL 2635 11.930 57.420 66.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9483 ATOM 9479 OW SOL 2636 0.240 50.740 64.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9484 ATOM 9480 HW1 SOL 2636 0.340 50.040 65.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9485 ATOM 9481 HW2 SOL 2636 -0.390 50.400 63.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9486 ATOM 9482 OW SOL 2637 15.920 39.030 59.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9487 ATOM 9483 HW1 SOL 2637 16.650 39.440 58.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9488 ATOM 9484 HW2 SOL 2637 15.990 38.030 59.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9489 ATOM 9485 OW SOL 2638 12.500 52.790 60.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9490 ATOM 9486 HW1 SOL 2638 13.400 52.670 60.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9491 ATOM 9487 HW2 SOL 2638 12.100 53.660 60.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9492 ATOM 9488 OW SOL 2639 13.040 45.580 62.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9493 ATOM 9489 HW1 SOL 2639 13.900 45.360 62.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9494 ATOM 9490 HW2 SOL 2639 13.170 46.390 61.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9495 ATOM 9491 OW SOL 2640 5.760 49.350 68.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9496 ATOM 9492 HW1 SOL 2640 5.610 48.490 69.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9497 ATOM 9493 HW2 SOL 2640 5.320 49.300 68.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9498 ATOM 9494 OW SOL 2641 8.830 53.420 57.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9499 ATOM 9495 HW1 SOL 2641 9.690 53.460 57.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9500 ATOM 9496 HW2 SOL 2641 8.400 52.530 57.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9501 ATOM 9497 OW SOL 2642 15.700 54.320 70.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9502 ATOM 9498 HW1 SOL 2642 16.450 54.310 69.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9503 ATOM 9499 HW2 SOL 2642 15.100 55.090 70.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9504 ATOM 9500 OW SOL 2643 17.460 39.170 64.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9505 ATOM 9501 HW1 SOL 2643 18.030 38.550 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9506 ATOM 9502 HW2 SOL 2643 16.510 39.080 64.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9507 ATOM 9503 OW SOL 2644 3.010 39.410 62.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9508 ATOM 9504 HW1 SOL 2644 2.420 40.190 62.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9509 ATOM 9505 HW2 SOL 2644 2.810 39.070 63.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9510 ATOM 9506 OW SOL 2645 11.560 51.840 57.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9511 ATOM 9507 HW1 SOL 2645 10.840 51.430 57.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9512 ATOM 9508 HW2 SOL 2645 11.150 52.300 56.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9513 ATOM 9509 OW SOL 2646 7.330 47.000 67.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9514 ATOM 9510 HW1 SOL 2646 8.130 47.530 67.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9515 ATOM 9511 HW2 SOL 2646 6.720 46.900 68.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9516 ATOM 9512 OW SOL 2647 10.410 46.420 57.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9517 ATOM 9513 HW1 SOL 2647 10.360 46.520 56.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9518 ATOM 9514 HW2 SOL 2647 10.540 45.460 57.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9519 ATOM 9515 OW SOL 2648 14.010 53.440 57.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9520 ATOM 9516 HW1 SOL 2648 13.270 52.770 57.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9521 ATOM 9517 HW2 SOL 2648 14.280 53.600 56.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9522 ATOM 9518 OW SOL 2649 3.470 50.080 71.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9523 ATOM 9519 HW1 SOL 2649 3.560 50.810 71.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9524 ATOM 9520 HW2 SOL 2649 3.840 49.230 71.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9525 ATOM 9521 OW SOL 2650 15.930 50.040 67.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9526 ATOM 9522 HW1 SOL 2650 16.930 50.090 67.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9527 ATOM 9523 HW2 SOL 2650 15.540 50.510 68.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9528 ATOM 9524 OW SOL 2651 11.370 45.800 64.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9529 ATOM 9525 HW1 SOL 2651 10.400 45.630 64.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9530 ATOM 9526 HW2 SOL 2651 11.890 45.700 63.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9531 ATOM 9527 OW SOL 2652 10.310 40.660 67.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9532 ATOM 9528 HW1 SOL 2652 9.480 41.210 67.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9533 ATOM 9529 HW2 SOL 2652 10.170 39.750 67.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9534 ATOM 9530 OW SOL 2653 5.270 51.270 59.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9535 ATOM 9531 HW1 SOL 2653 6.060 51.210 60.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9536 ATOM 9532 HW2 SOL 2653 5.500 51.820 58.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9537 ATOM 9533 OW SOL 2654 15.630 41.460 68.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9538 ATOM 9534 HW1 SOL 2654 15.980 41.920 69.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9539 ATOM 9535 HW2 SOL 2654 16.250 40.720 68.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9540 ATOM 9536 OW SOL 2655 0.070 49.240 58.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9541 ATOM 9537 HW1 SOL 2655 -0.530 48.520 57.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9542 ATOM 9538 HW2 SOL 2655 -0.390 49.710 59.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9543 ATOM 9539 OW SOL 2656 71.470 47.590 1.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9544 ATOM 9540 HW1 SOL 2656 71.380 48.580 1.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9545 ATOM 9541 HW2 SOL 2656 71.550 47.370 2.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9546 ATOM 9542 OW SOL 2657 7.650 36.840 70.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9547 ATOM 9543 HW1 SOL 2657 8.230 37.110 70.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9548 ATOM 9544 HW2 SOL 2657 7.470 37.640 71.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9549 ATOM 9545 OW SOL 2658 72.230 37.460 57.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9550 ATOM 9546 HW1 SOL 2658 71.430 38.040 57.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9551 ATOM 9547 HW2 SOL 2658 73.060 37.960 57.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9552 ATOM 9548 OW SOL 2659 14.100 45.170 69.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9553 ATOM 9549 HW1 SOL 2659 13.540 44.600 68.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9554 ATOM 9550 HW2 SOL 2659 14.820 45.610 68.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9555 ATOM 9551 OW SOL 2660 71.930 39.550 61.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9556 ATOM 9552 HW1 SOL 2660 72.070 38.610 60.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9557 ATOM 9553 HW2 SOL 2660 71.260 39.560 61.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9558 ATOM 9554 OW SOL 2661 11.050 49.200 58.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9559 ATOM 9555 HW1 SOL 2661 10.740 48.260 58.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9560 ATOM 9556 HW2 SOL 2661 11.240 49.320 59.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9561 ATOM 9557 OW SOL 2662 7.150 44.150 69.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9562 ATOM 9558 HW1 SOL 2662 7.370 43.410 70.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9563 ATOM 9559 HW2 SOL 2662 6.830 44.940 70.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9564 ATOM 9560 OW SOL 2663 13.970 56.170 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9565 ATOM 9561 HW1 SOL 2663 14.610 56.440 64.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9566 ATOM 9562 HW2 SOL 2663 14.470 55.720 63.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9567 ATOM 9563 OW SOL 2664 5.890 43.440 0.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9568 ATOM 9564 HW1 SOL 2664 6.090 44.400 0.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9569 ATOM 9565 HW2 SOL 2664 4.990 43.200 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9570 ATOM 9566 OW SOL 2665 3.050 53.830 71.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9571 ATOM 9567 HW1 SOL 2665 2.900 54.540 70.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9572 ATOM 9568 HW2 SOL 2665 2.220 53.700 72.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9573 ATOM 9569 OW SOL 2666 16.360 46.030 67.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9574 ATOM 9570 HW1 SOL 2666 16.960 45.230 67.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9575 ATOM 9571 HW2 SOL 2666 16.360 46.580 67.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9576 ATOM 9572 OW SOL 2667 11.440 39.580 59.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9577 ATOM 9573 HW1 SOL 2667 12.040 38.780 59.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9578 ATOM 9574 HW2 SOL 2667 11.930 40.380 59.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9579 ATOM 9575 OW SOL 2668 5.270 40.640 64.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9580 ATOM 9576 HW1 SOL 2668 6.210 40.970 64.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9581 ATOM 9577 HW2 SOL 2668 4.980 40.470 63.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9582 ATOM 9578 OW SOL 2669 17.920 48.050 69.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9583 ATOM 9579 HW1 SOL 2669 17.150 48.250 70.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9584 ATOM 9580 HW2 SOL 2669 17.620 47.450 68.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9585 ATOM 9581 OW SOL 2670 8.630 50.440 58.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9586 ATOM 9582 HW1 SOL 2670 8.380 50.580 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9587 ATOM 9583 HW2 SOL 2670 9.460 49.880 58.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9588 ATOM 9584 OW SOL 2671 6.270 53.510 66.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9589 ATOM 9585 HW1 SOL 2671 6.180 54.340 65.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9590 ATOM 9586 HW2 SOL 2671 7.110 53.540 67.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9591 ATOM 9587 OW SOL 2672 8.570 45.750 65.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9592 ATOM 9588 HW1 SOL 2672 8.040 45.340 64.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9593 ATOM 9589 HW2 SOL 2672 7.960 46.240 66.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9594 ATOM 9590 OW SOL 2673 10.400 46.660 54.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9595 ATOM 9591 HW1 SOL 2673 10.280 47.580 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9596 ATOM 9592 HW2 SOL 2673 11.360 46.390 54.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9597 ATOM 9593 OW SOL 2674 17.960 53.680 63.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9598 ATOM 9594 HW1 SOL 2674 17.310 54.300 62.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9599 ATOM 9595 HW2 SOL 2674 17.490 53.160 64.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9600 ATOM 9596 OW SOL 2675 2.680 50.720 60.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9601 ATOM 9597 HW1 SOL 2675 3.650 50.870 60.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9602 ATOM 9598 HW2 SOL 2675 2.430 49.780 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9603 ATOM 9599 OW SOL 2676 7.590 48.550 0.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9604 ATOM 9600 HW1 SOL 2676 7.090 49.420 0.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9605 ATOM 9601 HW2 SOL 2676 8.210 48.570 0.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9606 ATOM 9602 OW SOL 2677 17.440 39.700 67.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9607 ATOM 9603 HW1 SOL 2677 18.130 39.200 68.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9608 ATOM 9604 HW2 SOL 2677 17.440 39.390 66.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9609 ATOM 9605 OW SOL 2678 4.190 38.450 60.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9610 ATOM 9606 HW1 SOL 2678 4.110 39.190 60.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9611 ATOM 9607 HW2 SOL 2678 3.770 38.720 61.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9612 ATOM 9608 OW SOL 2679 17.090 52.500 65.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9613 ATOM 9609 HW1 SOL 2679 16.160 52.720 66.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9614 ATOM 9610 HW2 SOL 2679 17.450 51.740 66.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9615 ATOM 9611 OW SOL 2680 4.550 41.340 67.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9616 ATOM 9612 HW1 SOL 2680 4.020 41.170 68.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9617 ATOM 9613 HW2 SOL 2680 4.870 40.470 67.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9618 ATOM 9614 OW SOL 2681 7.950 54.250 62.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9619 ATOM 9615 HW1 SOL 2681 7.010 53.910 62.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9620 ATOM 9616 HW2 SOL 2681 8.420 54.120 61.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9621 ATOM 9617 OW SOL 2682 13.970 38.320 66.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9622 ATOM 9618 HW1 SOL 2682 13.270 37.610 66.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9623 ATOM 9619 HW2 SOL 2682 14.260 38.580 67.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9624 ATOM 9620 OW SOL 2683 9.970 38.290 66.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9625 ATOM 9621 HW1 SOL 2683 9.070 38.000 65.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9626 ATOM 9622 HW2 SOL 2683 10.670 37.690 65.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9627 ATOM 9623 OW SOL 2684 7.960 50.000 60.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9628 ATOM 9624 HW1 SOL 2684 8.340 49.120 60.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9629 ATOM 9625 HW2 SOL 2684 8.380 50.300 61.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9630 ATOM 9626 OW SOL 2685 4.420 51.600 67.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9631 ATOM 9627 HW1 SOL 2685 4.720 51.500 68.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9632 ATOM 9628 HW2 SOL 2685 4.780 52.460 67.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9633 ATOM 9629 OW SOL 2686 12.030 36.320 56.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9634 ATOM 9630 HW1 SOL 2686 12.430 35.740 55.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9635 ATOM 9631 HW2 SOL 2686 11.030 36.280 56.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9636 ATOM 9632 OW SOL 2687 11.730 41.610 62.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9637 ATOM 9633 HW1 SOL 2687 10.940 41.750 62.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9638 ATOM 9634 HW2 SOL 2687 11.420 41.430 63.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9639 ATOM 9635 OW SOL 2688 15.000 39.160 63.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9640 ATOM 9636 HW1 SOL 2688 14.450 38.850 64.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9641 ATOM 9637 HW2 SOL 2688 14.710 40.080 63.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9642 ATOM 9638 OW SOL 2689 0.750 47.270 62.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9643 ATOM 9639 HW1 SOL 2689 1.160 47.360 61.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9644 ATOM 9640 HW2 SOL 2689 1.160 46.500 62.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9645 ATOM 9641 OW SOL 2690 8.890 55.170 59.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9646 ATOM 9642 HW1 SOL 2690 8.880 54.570 59.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9647 ATOM 9643 HW2 SOL 2690 8.280 55.950 59.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9648 ATOM 9644 OW SOL 2691 1.350 60.920 70.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9649 ATOM 9645 HW1 SOL 2691 0.550 61.220 70.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9650 ATOM 9646 HW2 SOL 2691 1.530 61.570 69.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9651 ATOM 9647 OW SOL 2692 1.430 56.600 9.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9652 ATOM 9648 HW1 SOL 2692 2.220 56.260 10.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9653 ATOM 9649 HW2 SOL 2692 0.730 55.890 9.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9654 ATOM 9650 OW SOL 2693 0.000 60.060 6.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9655 ATOM 9651 HW1 SOL 2693 -0.900 59.790 6.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9656 ATOM 9652 HW2 SOL 2693 0.040 59.900 5.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9657 ATOM 9653 OW SOL 2694 5.250 67.330 13.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9658 ATOM 9654 HW1 SOL 2694 4.810 67.180 14.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9659 ATOM 9655 HW2 SOL 2694 4.620 67.840 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9660 ATOM 9656 OW SOL 2695 16.080 69.890 6.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9661 ATOM 9657 HW1 SOL 2695 15.610 69.950 7.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9662 ATOM 9658 HW2 SOL 2695 15.530 70.330 6.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9663 ATOM 9659 OW SOL 2696 11.440 63.030 3.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9664 ATOM 9660 HW1 SOL 2696 12.190 63.600 3.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9665 ATOM 9661 HW2 SOL 2696 10.660 63.600 3.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9666 ATOM 9662 OW SOL 2697 15.040 62.030 2.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9667 ATOM 9663 HW1 SOL 2697 15.990 62.230 2.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9668 ATOM 9664 HW2 SOL 2697 15.020 61.270 2.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9669 ATOM 9665 OW SOL 2698 6.610 64.880 12.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9670 ATOM 9666 HW1 SOL 2698 6.160 65.740 12.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9671 ATOM 9667 HW2 SOL 2698 7.410 65.070 12.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9672 ATOM 9668 OW SOL 2699 8.320 64.170 16.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9673 ATOM 9669 HW1 SOL 2699 8.940 64.000 17.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9674 ATOM 9670 HW2 SOL 2699 8.820 64.100 15.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9675 ATOM 9671 OW SOL 2700 5.440 66.750 6.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9676 ATOM 9672 HW1 SOL 2700 5.270 65.800 7.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9677 ATOM 9673 HW2 SOL 2700 4.600 67.280 6.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9678 ATOM 9674 OW SOL 2701 6.090 65.860 17.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9679 ATOM 9675 HW1 SOL 2701 6.860 65.340 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9680 ATOM 9676 HW2 SOL 2701 6.390 66.360 18.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9681 ATOM 9677 OW SOL 2702 3.880 69.360 12.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9682 ATOM 9678 HW1 SOL 2702 3.030 68.840 12.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9683 ATOM 9679 HW2 SOL 2702 4.110 69.600 11.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9684 ATOM 9680 OW SOL 2703 14.080 70.450 13.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9685 ATOM 9681 HW1 SOL 2703 14.560 71.240 14.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9686 ATOM 9682 HW2 SOL 2703 13.580 69.970 14.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9687 ATOM 9683 OW SOL 2704 4.130 58.850 12.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9688 ATOM 9684 HW1 SOL 2704 4.290 57.940 13.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9689 ATOM 9685 HW2 SOL 2704 3.250 58.860 12.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9690 ATOM 9686 OW SOL 2705 15.840 61.030 6.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9691 ATOM 9687 HW1 SOL 2705 15.400 60.510 5.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9692 ATOM 9688 HW2 SOL 2705 15.140 61.440 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9693 ATOM 9689 OW SOL 2706 10.300 68.740 16.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9694 ATOM 9690 HW1 SOL 2706 9.860 68.690 17.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9695 ATOM 9691 HW2 SOL 2706 10.210 67.850 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9696 ATOM 9692 OW SOL 2707 2.060 70.460 6.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9697 ATOM 9693 HW1 SOL 2707 2.210 71.330 6.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9698 ATOM 9694 HW2 SOL 2707 1.210 70.520 7.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9699 ATOM 9695 OW SOL 2708 2.820 63.750 9.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9700 ATOM 9696 HW1 SOL 2708 2.840 62.780 8.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9701 ATOM 9697 HW2 SOL 2708 3.380 63.910 9.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9702 ATOM 9698 OW SOL 2709 6.040 65.180 2.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9703 ATOM 9699 HW1 SOL 2709 6.350 65.410 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9704 ATOM 9700 HW2 SOL 2709 6.400 65.870 2.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9705 ATOM 9701 OW SOL 2710 18.540 56.050 14.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9706 ATOM 9702 HW1 SOL 2710 18.860 56.960 15.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9707 ATOM 9703 HW2 SOL 2710 17.810 55.760 15.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9708 ATOM 9704 OW SOL 2711 1.090 62.550 6.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9709 ATOM 9705 HW1 SOL 2711 0.740 61.630 6.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9710 ATOM 9706 HW2 SOL 2711 2.030 62.480 6.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9711 ATOM 9707 OW SOL 2712 70.400 0.150 70.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9712 ATOM 9708 HW1 SOL 2712 70.150 1.110 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9713 ATOM 9709 HW2 SOL 2712 69.840 -0.280 70.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9714 ATOM 9710 OW SOL 2713 15.230 63.660 5.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9715 ATOM 9711 HW1 SOL 2713 15.240 62.660 5.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9716 ATOM 9712 HW2 SOL 2713 16.170 63.980 5.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9717 ATOM 9713 OW SOL 2714 15.760 66.970 3.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9718 ATOM 9714 HW1 SOL 2714 16.220 66.120 2.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9719 ATOM 9715 HW2 SOL 2714 16.130 67.270 3.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9720 ATOM 9716 OW SOL 2715 1.770 60.840 14.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9721 ATOM 9717 HW1 SOL 2715 2.730 61.070 14.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9722 ATOM 9718 HW2 SOL 2715 1.470 61.270 15.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9723 ATOM 9719 OW SOL 2716 3.480 68.380 7.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9724 ATOM 9720 HW1 SOL 2716 2.780 67.700 7.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9725 ATOM 9721 HW2 SOL 2716 3.050 69.200 6.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9726 ATOM 9722 OW SOL 2717 13.320 65.790 15.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9727 ATOM 9723 HW1 SOL 2717 13.560 65.320 14.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9728 ATOM 9724 HW2 SOL 2717 14.150 65.920 15.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9729 ATOM 9725 OW SOL 2718 7.560 55.250 5.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9730 ATOM 9726 HW1 SOL 2718 8.270 55.760 4.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9731 ATOM 9727 HW2 SOL 2718 6.830 55.880 5.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9732 ATOM 9728 OW SOL 2719 1.710 65.260 12.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9733 ATOM 9729 HW1 SOL 2719 2.610 64.850 12.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9734 ATOM 9730 HW2 SOL 2719 1.040 64.660 11.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9735 ATOM 9731 OW SOL 2720 12.970 64.950 0.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9736 ATOM 9732 HW1 SOL 2720 13.160 64.850 1.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9737 ATOM 9733 HW2 SOL 2720 12.070 65.360 0.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9738 ATOM 9734 OW SOL 2721 1.510 58.360 16.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9739 ATOM 9735 HW1 SOL 2721 1.380 59.220 15.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9740 ATOM 9736 HW2 SOL 2721 0.640 58.050 16.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9741 ATOM 9737 OW SOL 2722 12.840 69.400 9.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9742 ATOM 9738 HW1 SOL 2722 12.000 69.590 8.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9743 ATOM 9739 HW2 SOL 2722 13.050 68.420 9.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9744 ATOM 9740 OW SOL 2723 5.690 62.780 3.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9745 ATOM 9741 HW1 SOL 2723 5.950 63.660 2.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9746 ATOM 9742 HW2 SOL 2723 4.720 62.780 3.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9747 ATOM 9743 OW SOL 2724 11.730 60.560 9.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9748 ATOM 9744 HW1 SOL 2724 11.140 61.160 10.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9749 ATOM 9745 HW2 SOL 2724 11.930 59.730 10.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9750 ATOM 9746 OW SOL 2725 16.780 71.010 2.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9751 ATOM 9747 HW1 SOL 2725 17.750 71.210 2.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9752 ATOM 9748 HW2 SOL 2725 16.650 70.170 2.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9753 ATOM 9749 OW SOL 2726 8.540 58.670 13.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9754 ATOM 9750 HW1 SOL 2726 8.200 58.790 14.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9755 ATOM 9751 HW2 SOL 2726 7.840 58.980 12.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9756 ATOM 9752 OW SOL 2727 14.170 57.880 16.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9757 ATOM 9753 HW1 SOL 2727 14.370 57.670 17.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9758 ATOM 9754 HW2 SOL 2727 14.090 57.030 15.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9759 ATOM 9755 OW SOL 2728 9.500 63.870 14.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9760 ATOM 9756 HW1 SOL 2728 9.950 63.000 14.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9761 ATOM 9757 HW2 SOL 2728 8.590 63.870 14.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9762 ATOM 9758 OW SOL 2729 10.650 57.990 11.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9763 ATOM 9759 HW1 SOL 2729 9.900 58.300 12.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9764 ATOM 9760 HW2 SOL 2729 10.280 57.540 10.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9765 ATOM 9761 OW SOL 2730 9.190 61.430 1.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9766 ATOM 9762 HW1 SOL 2730 9.840 60.750 1.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9767 ATOM 9763 HW2 SOL 2730 9.520 61.850 0.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9768 ATOM 9764 OW SOL 2731 71.910 63.980 8.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9769 ATOM 9765 HW1 SOL 2731 71.510 64.890 8.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9770 ATOM 9766 HW2 SOL 2731 72.600 63.830 7.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9771 ATOM 9767 OW SOL 2732 71.670 71.910 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9772 ATOM 9768 HW1 SOL 2732 71.960 71.660 16.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9773 ATOM 9769 HW2 SOL 2732 70.730 72.240 15.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9774 ATOM 9770 OW SOL 2733 10.120 57.130 1.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9775 ATOM 9771 HW1 SOL 2733 10.250 57.870 0.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9776 ATOM 9772 HW2 SOL 2733 9.980 56.270 0.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9777 ATOM 9773 OW SOL 2734 17.040 60.190 17.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9778 ATOM 9774 HW1 SOL 2734 17.250 60.960 16.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9779 ATOM 9775 HW2 SOL 2734 16.110 59.860 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9780 ATOM 9776 OW SOL 2735 13.930 67.240 5.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9781 ATOM 9777 HW1 SOL 2735 14.930 67.280 5.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9782 ATOM 9778 HW2 SOL 2735 13.550 67.310 4.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9783 ATOM 9779 OW SOL 2736 5.180 55.600 10.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9784 ATOM 9780 HW1 SOL 2736 4.390 55.320 10.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9785 ATOM 9781 HW2 SOL 2736 4.920 56.360 9.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9786 ATOM 9782 OW SOL 2737 10.410 69.130 7.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9787 ATOM 9783 HW1 SOL 2737 10.830 69.770 7.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9788 ATOM 9784 HW2 SOL 2737 9.510 69.490 7.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9789 ATOM 9785 OW SOL 2738 4.090 72.190 10.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9790 ATOM 9786 HW1 SOL 2738 4.550 71.810 9.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9791 ATOM 9787 HW2 SOL 2738 4.070 73.190 10.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9792 ATOM 9788 OW SOL 2739 18.550 66.610 9.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9793 ATOM 9789 HW1 SOL 2739 18.820 66.690 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9794 ATOM 9790 HW2 SOL 2739 17.680 66.130 9.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9795 ATOM 9791 OW SOL 2740 13.010 68.980 15.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9796 ATOM 9792 HW1 SOL 2740 12.060 68.770 15.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9797 ATOM 9793 HW2 SOL 2740 13.590 68.220 16.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9798 ATOM 9794 OW SOL 2741 3.700 63.530 0.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9799 ATOM 9795 HW1 SOL 2741 3.930 63.770 -0.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9800 ATOM 9796 HW2 SOL 2741 4.170 64.150 0.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9801 ATOM 9797 OW SOL 2742 13.620 64.270 7.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9802 ATOM 9798 HW1 SOL 2742 13.410 63.320 8.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9803 ATOM 9799 HW2 SOL 2742 14.460 64.310 7.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9804 ATOM 9800 OW SOL 2743 4.540 67.720 16.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9805 ATOM 9801 HW1 SOL 2743 3.660 67.280 16.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9806 ATOM 9802 HW2 SOL 2743 5.260 67.210 16.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9807 ATOM 9803 OW SOL 2744 0.330 57.180 12.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9808 ATOM 9804 HW1 SOL 2744 0.910 57.860 12.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9809 ATOM 9805 HW2 SOL 2744 -0.130 57.600 13.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9810 ATOM 9806 OW SOL 2745 14.320 67.750 71.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9811 ATOM 9807 HW1 SOL 2745 15.110 67.330 71.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9812 ATOM 9808 HW2 SOL 2745 14.010 68.530 71.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9813 ATOM 9809 OW SOL 2746 12.460 56.710 3.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9814 ATOM 9810 HW1 SOL 2746 11.810 57.080 2.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9815 ATOM 9811 HW2 SOL 2746 13.380 56.730 2.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9816 ATOM 9812 OW SOL 2747 2.970 62.770 3.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9817 ATOM 9813 HW1 SOL 2747 2.790 61.810 3.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9818 ATOM 9814 HW2 SOL 2747 2.100 63.240 3.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9819 ATOM 9815 OW SOL 2748 16.400 55.500 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9820 ATOM 9816 HW1 SOL 2748 16.110 55.760 17.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9821 ATOM 9817 HW2 SOL 2748 15.600 55.430 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9822 ATOM 9818 OW SOL 2749 4.050 53.730 1.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9823 ATOM 9819 HW1 SOL 2749 3.640 53.130 2.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9824 ATOM 9820 HW2 SOL 2749 3.870 53.370 0.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9825 ATOM 9821 OW SOL 2750 6.230 56.790 17.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9826 ATOM 9822 HW1 SOL 2750 6.390 56.340 18.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9827 ATOM 9823 HW2 SOL 2750 5.300 57.140 17.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9828 ATOM 9824 OW SOL 2751 7.560 69.250 10.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9829 ATOM 9825 HW1 SOL 2751 6.640 69.140 10.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9830 ATOM 9826 HW2 SOL 2751 7.580 68.900 11.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9831 ATOM 9827 OW SOL 2752 13.050 59.860 14.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9832 ATOM 9828 HW1 SOL 2752 13.610 59.130 15.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9833 ATOM 9829 HW2 SOL 2752 13.570 60.720 14.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9834 ATOM 9830 OW SOL 2753 5.890 66.560 10.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9835 ATOM 9831 HW1 SOL 2753 6.810 66.500 10.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9836 ATOM 9832 HW2 SOL 2753 5.710 67.500 10.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9837 ATOM 9833 OW SOL 2754 7.510 58.860 7.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9838 ATOM 9834 HW1 SOL 2754 7.270 58.450 6.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9839 ATOM 9835 HW2 SOL 2754 8.500 58.880 7.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9840 ATOM 9836 OW SOL 2755 4.900 56.630 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9841 ATOM 9837 HW1 SOL 2755 4.150 56.630 5.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9842 ATOM 9838 HW2 SOL 2755 4.540 56.630 3.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9843 ATOM 9839 OW SOL 2756 11.230 67.560 0.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9844 ATOM 9840 HW1 SOL 2756 10.880 66.750 0.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9845 ATOM 9841 HW2 SOL 2756 11.100 68.370 0.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9846 ATOM 9842 OW SOL 2757 0.420 59.340 3.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9847 ATOM 9843 HW1 SOL 2757 1.420 59.370 3.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9848 ATOM 9844 HW2 SOL 2757 0.100 58.410 3.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9849 ATOM 9845 OW SOL 2758 9.250 57.100 3.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9850 ATOM 9846 HW1 SOL 2758 9.270 57.090 2.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9851 ATOM 9847 HW2 SOL 2758 8.710 57.880 3.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9852 ATOM 9848 OW SOL 2759 10.560 61.130 14.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9853 ATOM 9849 HW1 SOL 2759 9.720 60.580 14.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9854 ATOM 9850 HW2 SOL 2759 11.340 60.520 14.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9855 ATOM 9851 OW SOL 2760 8.400 70.690 8.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9856 ATOM 9852 HW1 SOL 2760 8.030 71.620 8.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9857 ATOM 9853 HW2 SOL 2760 8.160 70.220 9.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9858 ATOM 9854 OW SOL 2761 1.770 66.180 8.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9859 ATOM 9855 HW1 SOL 2761 2.080 65.280 8.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9860 ATOM 9856 HW2 SOL 2761 0.770 66.190 8.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9861 ATOM 9857 OW SOL 2762 10.540 59.020 71.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9862 ATOM 9858 HW1 SOL 2762 9.680 58.880 71.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9863 ATOM 9859 HW2 SOL 2762 10.930 59.900 71.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9864 ATOM 9860 OW SOL 2763 0.720 61.710 11.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9865 ATOM 9861 HW1 SOL 2763 1.720 61.720 11.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9866 ATOM 9862 HW2 SOL 2763 0.390 62.650 11.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9867 ATOM 9863 OW SOL 2764 4.630 56.390 13.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9868 ATOM 9864 HW1 SOL 2764 5.450 55.820 13.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9869 ATOM 9865 HW2 SOL 2764 3.820 55.800 13.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9870 ATOM 9866 OW SOL 2765 7.130 58.210 4.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9871 ATOM 9867 HW1 SOL 2765 7.060 58.940 4.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9872 ATOM 9868 HW2 SOL 2765 6.420 57.530 4.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9873 ATOM 9869 OW SOL 2766 10.650 55.110 5.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9874 ATOM 9870 HW1 SOL 2766 10.420 55.770 4.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9875 ATOM 9871 HW2 SOL 2766 9.850 54.950 6.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9876 ATOM 9872 OW SOL 2767 13.550 67.000 8.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9877 ATOM 9873 HW1 SOL 2767 13.690 66.010 8.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9878 ATOM 9874 HW2 SOL 2767 13.590 67.360 7.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9879 ATOM 9875 OW SOL 2768 13.890 61.310 8.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9880 ATOM 9876 HW1 SOL 2768 13.010 60.960 8.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9881 ATOM 9877 HW2 SOL 2768 14.510 61.400 9.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9882 ATOM 9878 OW SOL 2769 17.970 63.770 4.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9883 ATOM 9879 HW1 SOL 2769 18.200 64.670 5.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9884 ATOM 9880 HW2 SOL 2769 18.740 63.140 4.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9885 ATOM 9881 OW SOL 2770 3.760 69.200 3.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9886 ATOM 9882 HW1 SOL 2770 3.900 70.010 3.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9887 ATOM 9883 HW2 SOL 2770 3.350 68.470 3.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9888 ATOM 9884 OW SOL 2771 16.740 67.360 5.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9889 ATOM 9885 HW1 SOL 2771 17.610 66.950 6.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9890 ATOM 9886 HW2 SOL 2771 16.660 68.260 6.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9891 ATOM 9887 OW SOL 2772 13.290 59.670 1.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9892 ATOM 9888 HW1 SOL 2772 12.640 59.730 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9893 ATOM 9889 HW2 SOL 2772 13.070 58.860 0.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9894 ATOM 9890 OW SOL 2773 4.090 56.700 2.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9895 ATOM 9891 HW1 SOL 2773 4.130 55.710 2.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9896 ATOM 9892 HW2 SOL 2773 4.150 57.070 1.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9897 ATOM 9893 OW SOL 2774 16.700 67.000 14.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9898 ATOM 9894 HW1 SOL 2774 17.410 67.490 13.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9899 ATOM 9895 HW2 SOL 2774 16.200 67.650 14.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9900 ATOM 9896 OW SOL 2775 10.270 67.490 12.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9901 ATOM 9897 HW1 SOL 2775 9.570 68.200 12.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9902 ATOM 9898 HW2 SOL 2775 10.480 67.190 13.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9903 ATOM 9899 OW SOL 2776 13.320 71.430 16.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9904 ATOM 9900 HW1 SOL 2776 12.550 71.910 16.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9905 ATOM 9901 HW2 SOL 2776 13.240 70.450 16.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9906 ATOM 9902 OW SOL 2777 8.480 65.900 10.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9907 ATOM 9903 HW1 SOL 2777 9.070 66.630 11.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9908 ATOM 9904 HW2 SOL 2777 9.040 65.140 10.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9909 ATOM 9905 OW SOL 2778 15.780 66.740 9.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9910 ATOM 9906 HW1 SOL 2778 15.700 67.270 10.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9911 ATOM 9907 HW2 SOL 2778 15.040 67.000 9.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9912 ATOM 9908 OW SOL 2779 10.020 54.280 12.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9913 ATOM 9909 HW1 SOL 2779 10.180 54.350 11.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9914 ATOM 9910 HW2 SOL 2779 10.800 54.680 12.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9915 ATOM 9911 OW SOL 2780 10.830 66.250 14.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9916 ATOM 9912 HW1 SOL 2780 10.450 65.380 14.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9917 ATOM 9913 HW2 SOL 2780 11.780 66.110 15.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9918 ATOM 9914 OW SOL 2781 6.750 66.980 4.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9919 ATOM 9915 HW1 SOL 2781 6.480 66.760 5.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9920 ATOM 9916 HW2 SOL 2781 7.710 67.260 4.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9921 ATOM 9917 OW SOL 2782 4.140 64.140 11.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9922 ATOM 9918 HW1 SOL 2782 5.070 64.330 11.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9923 ATOM 9919 HW2 SOL 2782 3.880 63.210 11.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9924 ATOM 9920 OW SOL 2783 13.360 58.390 12.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9925 ATOM 9921 HW1 SOL 2783 13.380 58.740 13.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9926 ATOM 9922 HW2 SOL 2783 12.410 58.200 12.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9927 ATOM 9923 OW SOL 2784 0.140 70.550 13.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9928 ATOM 9924 HW1 SOL 2784 -0.230 71.280 14.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9929 ATOM 9925 HW2 SOL 2784 0.020 70.810 12.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9930 ATOM 9926 OW SOL 2785 71.880 66.200 5.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9931 ATOM 9927 HW1 SOL 2785 72.640 66.800 4.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9932 ATOM 9928 HW2 SOL 2785 72.090 65.260 4.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9933 ATOM 9929 OW SOL 2786 5.130 60.410 5.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9934 ATOM 9930 HW1 SOL 2786 5.280 61.390 5.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9935 ATOM 9931 HW2 SOL 2786 6.010 59.940 5.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9936 ATOM 9932 OW SOL 2787 12.560 69.420 4.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9937 ATOM 9933 HW1 SOL 2787 13.440 69.110 4.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9938 ATOM 9934 HW2 SOL 2787 12.060 69.890 5.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9939 ATOM 9935 OW SOL 2788 12.080 70.790 11.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9940 ATOM 9936 HW1 SOL 2788 12.770 70.640 12.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9941 ATOM 9937 HW2 SOL 2788 12.160 70.080 10.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9942 ATOM 9938 OW SOL 2789 14.040 60.010 4.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9943 ATOM 9939 HW1 SOL 2789 13.910 60.650 3.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9944 ATOM 9940 HW2 SOL 2789 13.170 59.560 4.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9945 ATOM 9941 OW SOL 2790 3.810 71.180 14.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9946 ATOM 9942 HW1 SOL 2790 3.200 70.710 14.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9947 ATOM 9943 HW2 SOL 2790 4.080 70.550 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9948 ATOM 9944 OW SOL 2791 4.430 60.900 14.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9949 ATOM 9945 HW1 SOL 2791 4.420 59.980 14.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9950 ATOM 9946 HW2 SOL 2791 5.330 61.320 14.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9951 ATOM 9947 OW SOL 2792 16.960 62.310 15.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9952 ATOM 9948 HW1 SOL 2792 17.820 62.520 15.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9953 ATOM 9949 HW2 SOL 2792 16.930 62.810 16.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9954 ATOM 9950 OW SOL 2793 9.760 55.810 18.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9955 ATOM 9951 HW1 SOL 2793 10.310 56.360 18.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9956 ATOM 9952 HW2 SOL 2793 10.360 55.310 19.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9957 ATOM 9953 OW SOL 2794 3.630 56.730 16.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9958 ATOM 9954 HW1 SOL 2794 4.030 56.430 15.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9959 ATOM 9955 HW2 SOL 2794 2.850 57.330 16.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9960 ATOM 9956 OW SOL 2795 8.400 63.270 8.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9961 ATOM 9957 HW1 SOL 2795 8.820 62.550 9.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9962 ATOM 9958 HW2 SOL 2795 8.670 63.160 7.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9963 ATOM 9959 OW SOL 2796 11.050 65.160 9.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9964 ATOM 9960 HW1 SOL 2796 10.350 64.720 8.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9965 ATOM 9961 HW2 SOL 2796 11.950 64.910 8.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9966 ATOM 9962 OW SOL 2797 11.470 60.330 2.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9967 ATOM 9963 HW1 SOL 2797 11.410 59.890 3.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9968 ATOM 9964 HW2 SOL 2797 11.340 61.320 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9969 ATOM 9965 OW SOL 2798 2.950 54.920 11.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9970 ATOM 9966 HW1 SOL 2798 2.660 55.070 12.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9971 ATOM 9967 HW2 SOL 2798 2.650 54.010 11.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9972 ATOM 9968 OW SOL 2799 71.420 67.240 13.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9973 ATOM 9969 HW1 SOL 2799 72.100 67.940 13.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9974 ATOM 9970 HW2 SOL 2799 70.760 67.590 14.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9975 ATOM 9971 OW SOL 2800 6.220 60.470 8.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9976 ATOM 9972 HW1 SOL 2800 6.700 59.920 8.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9977 ATOM 9973 HW2 SOL 2800 6.270 61.440 8.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9978 ATOM 9974 OW SOL 2801 17.260 65.440 18.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9979 ATOM 9975 HW1 SOL 2801 17.300 64.450 18.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9980 ATOM 9976 HW2 SOL 2801 17.450 65.880 18.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9981 ATOM 9977 OW SOL 2802 2.950 56.300 6.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9982 ATOM 9978 HW1 SOL 2802 3.030 57.140 7.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9983 ATOM 9979 HW2 SOL 2802 3.020 55.500 7.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9984 ATOM 9980 OW SOL 2803 15.260 57.990 3.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9985 ATOM 9981 HW1 SOL 2803 16.150 57.790 3.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9986 ATOM 9982 HW2 SOL 2803 14.770 58.660 3.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9987 ATOM 9983 OW SOL 2804 9.890 60.540 5.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9988 ATOM 9984 HW1 SOL 2804 9.040 60.200 5.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9989 ATOM 9985 HW2 SOL 2804 10.480 59.760 6.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9990 ATOM 9986 OW SOL 2805 10.740 72.150 15.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9991 ATOM 9987 HW1 SOL 2805 9.980 72.480 15.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9992 ATOM 9988 HW2 SOL 2805 10.510 71.250 16.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9993 ATOM 9989 OW SOL 2806 16.660 69.240 16.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9994 ATOM 9990 HW1 SOL 2806 16.390 70.120 15.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9995 ATOM 9991 HW2 SOL 2806 17.540 69.340 16.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9996 ATOM 9992 OW SOL 2807 3.130 62.580 16.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9997 ATOM 9993 HW1 SOL 2807 3.760 63.020 17.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9998 ATOM 9994 HW2 SOL 2807 3.620 61.910 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
9999 ATOM 9995 OW SOL 2808 13.630 56.920 72.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10000 ATOM 9996 HW1 SOL 2808 13.380 56.040 72.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10001 ATOM 9997 HW2 SOL 2808 14.510 57.230 72.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10002 ATOM 9998 OW SOL 2809 11.560 64.100 70.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10003 ATOM 9999 HW1 SOL 2809 12.380 64.370 71.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10004 ATOM 10000 HW2 SOL 2809 11.650 64.390 70.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10005 ATOM 10001 OW SOL 2810 8.550 66.790 7.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10006 ATOM 10002 HW1 SOL 2810 7.620 67.110 7.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10007 ATOM 10003 HW2 SOL 2810 9.200 67.350 7.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10008 ATOM 10004 OW SOL 2811 3.280 61.170 8.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10009 ATOM 10005 HW1 SOL 2811 4.170 61.000 7.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10010 ATOM 10006 HW2 SOL 2811 2.650 60.430 8.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10011 ATOM 10007 OW SOL 2812 4.530 58.310 8.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10012 ATOM 10008 HW1 SOL 2812 3.610 58.600 8.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10013 ATOM 10009 HW2 SOL 2812 5.160 59.080 8.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10014 ATOM 10010 OW SOL 2813 11.450 57.230 16.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10015 ATOM 10011 HW1 SOL 2813 10.900 58.050 17.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10016 ATOM 10012 HW2 SOL 2813 12.400 57.500 16.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10017 ATOM 10013 OW SOL 2814 11.230 55.800 14.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10018 ATOM 10014 HW1 SOL 2814 11.210 55.820 15.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10019 ATOM 10015 HW2 SOL 2814 10.890 56.660 14.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10020 ATOM 10016 OW SOL 2815 0.150 69.040 2.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10021 ATOM 10017 HW1 SOL 2815 -0.370 69.750 2.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10022 ATOM 10018 HW2 SOL 2815 0.840 69.460 1.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10023 ATOM 10019 OW SOL 2816 1.470 71.590 9.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10024 ATOM 10020 HW1 SOL 2816 1.300 71.750 8.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10025 ATOM 10021 HW2 SOL 2816 2.440 71.710 9.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10026 ATOM 10022 OW SOL 2817 5.330 69.040 9.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10027 ATOM 10023 HW1 SOL 2817 5.790 69.810 8.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10028 ATOM 10024 HW2 SOL 2817 4.580 68.730 8.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10029 ATOM 10025 OW SOL 2818 9.530 63.210 6.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10030 ATOM 10026 HW1 SOL 2818 10.290 63.820 6.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10031 ATOM 10027 HW2 SOL 2818 9.750 62.290 6.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10032 ATOM 10028 OW SOL 2819 70.900 60.480 11.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10033 ATOM 10029 HW1 SOL 2819 70.920 59.480 11.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10034 ATOM 10030 HW2 SOL 2819 71.770 60.850 11.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10035 ATOM 10031 OW SOL 2820 71.700 59.800 14.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10036 ATOM 10032 HW1 SOL 2820 70.970 60.040 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10037 ATOM 10033 HW2 SOL 2820 72.470 60.440 14.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10038 ATOM 10034 OW SOL 2821 14.510 62.310 14.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10039 ATOM 10035 HW1 SOL 2821 15.470 62.300 14.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10040 ATOM 10036 HW2 SOL 2821 14.320 63.150 14.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10041 ATOM 10037 OW SOL 2822 7.230 60.330 3.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10042 ATOM 10038 HW1 SOL 2822 7.930 60.690 2.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10043 ATOM 10039 HW2 SOL 2822 6.650 61.080 3.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10044 ATOM 10040 OW SOL 2823 15.520 61.470 10.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10045 ATOM 10041 HW1 SOL 2823 15.350 60.510 10.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10046 ATOM 10042 HW2 SOL 2823 16.450 61.710 10.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10047 ATOM 10043 OW SOL 2824 3.380 70.500 17.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10048 ATOM 10044 HW1 SOL 2824 3.030 69.920 17.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10049 ATOM 10045 HW2 SOL 2824 3.030 70.180 16.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10050 ATOM 10046 OW SOL 2825 6.610 59.500 11.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10051 ATOM 10047 HW1 SOL 2825 5.780 58.990 11.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10052 ATOM 10048 HW2 SOL 2825 6.560 59.820 10.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10053 ATOM 10049 OW SOL 2826 3.610 60.600 71.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10054 ATOM 10050 HW1 SOL 2826 3.830 61.310 72.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10055 ATOM 10051 HW2 SOL 2826 2.760 60.840 71.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10056 ATOM 10052 OW SOL 2827 2.090 66.510 14.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10057 ATOM 10053 HW1 SOL 2827 1.780 66.020 15.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10058 ATOM 10054 HW2 SOL 2827 1.930 65.960 13.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10059 ATOM 10055 OW SOL 2828 11.600 65.050 11.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10060 ATOM 10056 HW1 SOL 2828 11.560 65.140 10.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10061 ATOM 10057 HW2 SOL 2828 11.070 65.790 12.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10062 ATOM 10058 OW SOL 2829 13.560 64.260 3.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10063 ATOM 10059 HW1 SOL 2829 13.870 64.710 3.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10064 ATOM 10060 HW2 SOL 2829 14.030 63.390 2.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10065 ATOM 10061 OW SOL 2830 15.660 0.910 13.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10066 ATOM 10062 HW1 SOL 2830 16.100 0.840 12.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10067 ATOM 10063 HW2 SOL 2830 14.670 0.860 12.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10068 ATOM 10064 OW SOL 2831 13.070 0.670 12.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10069 ATOM 10065 HW1 SOL 2831 12.420 1.350 12.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10070 ATOM 10066 HW2 SOL 2831 12.640 -0.230 12.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10071 ATOM 10067 OW SOL 2832 1.620 67.820 10.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10072 ATOM 10068 HW1 SOL 2832 2.100 67.630 10.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10073 ATOM 10069 HW2 SOL 2832 1.510 66.970 11.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10074 ATOM 10070 OW SOL 2833 10.260 54.580 72.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10075 ATOM 10071 HW1 SOL 2833 11.100 54.300 73.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10076 ATOM 10072 HW2 SOL 2833 9.520 53.940 72.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10077 ATOM 10073 OW SOL 2834 17.450 57.440 4.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10078 ATOM 10074 HW1 SOL 2834 18.430 57.460 4.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10079 ATOM 10075 HW2 SOL 2834 17.210 56.580 4.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10080 ATOM 10076 OW SOL 2835 15.010 71.290 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10081 ATOM 10077 HW1 SOL 2835 15.670 71.150 4.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10082 ATOM 10078 HW2 SOL 2835 14.190 71.750 4.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10083 ATOM 10079 OW SOL 2836 0.110 71.140 18.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10084 ATOM 10080 HW1 SOL 2836 0.070 70.340 18.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10085 ATOM 10081 HW2 SOL 2836 0.610 71.870 18.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10086 ATOM 10082 OW SOL 2837 10.340 65.810 5.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10087 ATOM 10083 HW1 SOL 2837 9.610 66.120 6.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10088 ATOM 10084 HW2 SOL 2837 11.220 66.170 5.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10089 ATOM 10085 OW SOL 2838 7.720 68.700 13.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10090 ATOM 10086 HW1 SOL 2838 7.520 69.280 14.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10091 ATOM 10087 HW2 SOL 2838 6.910 68.170 13.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10092 ATOM 10088 OW SOL 2839 2.220 70.600 1.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10093 ATOM 10089 HW1 SOL 2839 2.000 71.560 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10094 ATOM 10090 HW2 SOL 2839 2.970 70.310 1.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10095 ATOM 10091 OW SOL 2840 17.870 57.140 9.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10096 ATOM 10092 HW1 SOL 2840 18.440 56.610 9.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10097 ATOM 10093 HW2 SOL 2840 17.030 57.400 9.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10098 ATOM 10094 OW SOL 2841 2.020 58.900 7.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10099 ATOM 10095 HW1 SOL 2841 1.310 59.280 7.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10100 ATOM 10096 HW2 SOL 2841 1.650 58.120 8.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10101 ATOM 10097 OW SOL 2842 13.290 69.680 0.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10102 ATOM 10098 HW1 SOL 2842 12.790 70.010 0.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10103 ATOM 10099 HW2 SOL 2842 12.760 69.870 -0.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10104 ATOM 10100 OW SOL 2843 10.530 62.350 11.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10105 ATOM 10101 HW1 SOL 2843 10.470 61.860 12.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10106 ATOM 10102 HW2 SOL 2843 11.060 63.190 11.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10107 ATOM 10103 OW SOL 2844 9.290 67.820 3.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10108 ATOM 10104 HW1 SOL 2844 9.790 67.980 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10109 ATOM 10105 HW2 SOL 2844 9.750 67.100 4.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10110 ATOM 10106 OW SOL 2845 2.110 69.430 15.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10111 ATOM 10107 HW1 SOL 2845 1.270 69.740 14.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10112 ATOM 10108 HW2 SOL 2845 2.270 68.470 15.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10113 ATOM 10109 OW SOL 2846 15.940 68.830 11.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10114 ATOM 10110 HW1 SOL 2846 16.870 68.820 12.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10115 ATOM 10111 HW2 SOL 2846 15.330 69.300 12.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10116 ATOM 10112 OW SOL 2847 8.640 70.330 4.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10117 ATOM 10113 HW1 SOL 2847 8.940 69.460 4.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10118 ATOM 10114 HW2 SOL 2847 9.300 70.650 5.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10119 ATOM 10115 OW SOL 2848 9.510 56.580 9.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10120 ATOM 10116 HW1 SOL 2848 8.530 56.400 9.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10121 ATOM 10117 HW2 SOL 2848 10.000 55.720 9.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10122 ATOM 10118 OW SOL 2849 6.000 69.760 5.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10123 ATOM 10119 HW1 SOL 2849 6.890 70.070 5.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10124 ATOM 10120 HW2 SOL 2849 5.930 68.770 5.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10125 ATOM 10121 OW SOL 2850 19.470 59.240 14.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10126 ATOM 10122 HW1 SOL 2850 19.550 60.170 13.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10127 ATOM 10123 HW2 SOL 2850 18.770 58.750 13.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10128 ATOM 10124 OW SOL 2851 1.230 67.920 4.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10129 ATOM 10125 HW1 SOL 2851 1.200 68.100 3.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10130 ATOM 10126 HW2 SOL 2851 1.600 68.720 5.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10131 ATOM 10127 OW SOL 2852 1.130 64.690 16.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10132 ATOM 10128 HW1 SOL 2852 0.240 64.240 16.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10133 ATOM 10129 HW2 SOL 2852 1.840 64.000 16.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10134 ATOM 10130 OW SOL 2853 7.790 55.670 13.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10135 ATOM 10131 HW1 SOL 2853 8.600 55.190 12.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10136 ATOM 10132 HW2 SOL 2853 7.720 56.560 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10137 ATOM 10133 OW SOL 2854 72.300 59.070 0.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10138 ATOM 10134 HW1 SOL 2854 72.530 59.310 1.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10139 ATOM 10135 HW2 SOL 2854 72.340 59.880 0.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10140 ATOM 10136 OW SOL 2855 13.620 64.350 13.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10141 ATOM 10137 HW1 SOL 2855 12.730 64.300 12.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10142 ATOM 10138 HW2 SOL 2855 14.330 64.590 12.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10143 ATOM 10139 OW SOL 2856 71.330 57.030 3.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10144 ATOM 10140 HW1 SOL 2856 71.560 56.300 3.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10145 ATOM 10141 HW2 SOL 2856 71.440 56.680 4.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10146 ATOM 10142 OW SOL 2857 11.070 69.550 1.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10147 ATOM 10143 HW1 SOL 2857 10.680 70.420 1.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10148 ATOM 10144 HW2 SOL 2857 11.660 69.720 2.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10149 ATOM 10145 OW SOL 2858 7.020 61.760 13.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10150 ATOM 10146 HW1 SOL 2858 6.830 62.500 12.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10151 ATOM 10147 HW2 SOL 2858 6.910 60.880 12.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10152 ATOM 10148 OW SOL 2859 13.120 72.590 7.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10153 ATOM 10149 HW1 SOL 2859 13.180 72.470 8.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10154 ATOM 10150 HW2 SOL 2859 13.730 73.330 7.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10155 ATOM 10151 OW SOL 2860 7.740 59.010 16.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10156 ATOM 10152 HW1 SOL 2860 8.480 59.250 17.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10157 ATOM 10153 HW2 SOL 2860 7.140 58.340 16.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10158 ATOM 10154 OW SOL 2861 15.270 67.190 16.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10159 ATOM 10155 HW1 SOL 2861 15.860 66.410 17.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10160 ATOM 10156 HW2 SOL 2861 15.830 68.000 16.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10161 ATOM 10157 OW SOL 2862 15.490 64.200 11.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10162 ATOM 10158 HW1 SOL 2862 15.520 63.290 10.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10163 ATOM 10159 HW2 SOL 2862 15.310 64.890 10.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10164 ATOM 10160 OW SOL 2863 11.660 58.470 5.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10165 ATOM 10161 HW1 SOL 2863 12.030 57.660 4.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10166 ATOM 10162 HW2 SOL 2863 11.470 58.270 6.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10167 ATOM 10163 OW SOL 2864 5.230 63.220 6.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10168 ATOM 10164 HW1 SOL 2864 5.360 63.690 7.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10169 ATOM 10165 HW2 SOL 2864 5.680 63.730 5.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10170 ATOM 10166 OW SOL 2865 19.130 58.310 17.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10171 ATOM 10167 HW1 SOL 2865 19.590 58.430 16.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10172 ATOM 10168 HW2 SOL 2865 18.560 59.120 17.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10173 ATOM 10169 OW SOL 2866 17.230 64.750 13.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10174 ATOM 10170 HW1 SOL 2866 16.900 65.440 13.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10175 ATOM 10171 HW2 SOL 2866 16.600 64.710 12.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10176 ATOM 10172 OW SOL 2867 7.610 70.980 0.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10177 ATOM 10173 HW1 SOL 2867 7.330 70.150 0.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10178 ATOM 10174 HW2 SOL 2867 7.320 70.930 -0.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10179 ATOM 10175 OW SOL 2868 5.980 64.460 8.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10180 ATOM 10176 HW1 SOL 2868 6.920 64.110 8.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10181 ATOM 10177 HW2 SOL 2868 5.900 65.290 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10182 ATOM 10178 OW SOL 2869 9.940 65.330 1.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10183 ATOM 10179 HW1 SOL 2869 9.110 65.430 0.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10184 ATOM 10180 HW2 SOL 2869 9.970 64.400 1.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10185 ATOM 10181 OW SOL 2870 16.620 0.250 10.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10186 ATOM 10182 HW1 SOL 2870 16.180 -0.580 10.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10187 ATOM 10183 HW2 SOL 2870 17.550 0.300 10.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10188 ATOM 10184 OW SOL 2871 6.330 67.430 19.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10189 ATOM 10185 HW1 SOL 2871 6.460 66.740 20.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10190 ATOM 10186 HW2 SOL 2871 5.580 68.040 19.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10191 ATOM 10187 OW SOL 2872 71.360 66.650 7.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10192 ATOM 10188 HW1 SOL 2872 70.940 67.560 7.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10193 ATOM 10189 HW2 SOL 2872 71.710 66.510 6.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10194 ATOM 10190 OW SOL 2873 6.390 69.750 15.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10195 ATOM 10191 HW1 SOL 2873 5.570 69.180 15.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10196 ATOM 10192 HW2 SOL 2873 6.130 70.710 15.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10197 ATOM 10193 OW SOL 2874 17.840 57.800 12.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10198 ATOM 10194 HW1 SOL 2874 17.830 56.910 12.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10199 ATOM 10195 HW2 SOL 2874 17.550 57.690 11.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10200 ATOM 10196 OW SOL 2875 3.180 59.740 3.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10201 ATOM 10197 HW1 SOL 2875 3.950 59.860 4.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10202 ATOM 10198 HW2 SOL 2875 3.290 58.880 3.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10203 ATOM 10199 OW SOL 2876 15.270 70.390 9.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10204 ATOM 10200 HW1 SOL 2876 14.300 70.200 9.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10205 ATOM 10201 HW2 SOL 2876 15.690 69.720 10.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10206 ATOM 10202 OW SOL 2877 3.430 61.260 11.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10207 ATOM 10203 HW1 SOL 2877 3.510 60.400 11.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10208 ATOM 10204 HW2 SOL 2877 3.460 61.090 10.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10209 ATOM 10205 OW SOL 2878 5.580 71.670 7.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10210 ATOM 10206 HW1 SOL 2878 5.150 72.510 7.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10211 ATOM 10207 HW2 SOL 2878 5.600 70.980 6.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10212 ATOM 10208 OW SOL 2879 15.730 59.020 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10213 ATOM 10209 HW1 SOL 2879 16.530 58.950 11.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10214 ATOM 10210 HW2 SOL 2879 14.950 58.570 11.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10215 ATOM 10211 OW SOL 2880 10.560 54.120 9.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10216 ATOM 10212 HW1 SOL 2880 9.860 53.460 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10217 ATOM 10213 HW2 SOL 2880 11.420 53.640 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10218 ATOM 10214 OW SOL 2881 6.160 69.140 1.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10219 ATOM 10215 HW1 SOL 2881 5.290 69.130 2.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10220 ATOM 10216 HW2 SOL 2881 6.910 69.010 2.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10221 ATOM 10217 OW SOL 2882 6.080 72.380 15.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10222 ATOM 10218 HW1 SOL 2882 5.470 72.130 14.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10223 ATOM 10219 HW2 SOL 2882 6.890 72.830 14.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10224 ATOM 10220 OW SOL 2883 12.380 53.570 1.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10225 ATOM 10221 HW1 SOL 2883 13.200 53.090 1.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10226 ATOM 10222 HW2 SOL 2883 11.940 53.050 2.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10227 ATOM 10223 OW SOL 2884 10.550 58.220 7.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10228 ATOM 10224 HW1 SOL 2884 11.000 58.920 8.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10229 ATOM 10225 HW2 SOL 2884 10.300 57.440 8.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10230 ATOM 10226 OW SOL 2885 15.500 57.980 8.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10231 ATOM 10227 HW1 SOL 2885 15.530 58.360 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10232 ATOM 10228 HW2 SOL 2885 15.280 58.710 8.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10233 ATOM 10229 OW SOL 2886 70.560 67.790 0.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10234 ATOM 10230 HW1 SOL 2886 69.790 68.430 0.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10235 ATOM 10231 HW2 SOL 2886 71.330 68.190 1.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10236 ATOM 10232 OW SOL 2887 3.350 60.810 18.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10237 ATOM 10233 HW1 SOL 2887 2.500 60.480 19.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10238 ATOM 10234 HW2 SOL 2887 3.150 61.560 18.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10239 ATOM 10235 OW SOL 2888 1.000 58.080 27.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10240 ATOM 10236 HW1 SOL 2888 0.830 57.830 28.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10241 ATOM 10237 HW2 SOL 2888 0.140 58.320 27.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10242 ATOM 10238 OW SOL 2889 71.270 55.570 24.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10243 ATOM 10239 HW1 SOL 2889 71.270 56.560 24.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10244 ATOM 10240 HW2 SOL 2889 71.490 55.380 25.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10245 ATOM 10241 OW SOL 2890 6.080 66.420 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10246 ATOM 10242 HW1 SOL 2890 5.370 67.050 27.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10247 ATOM 10243 HW2 SOL 2890 6.060 65.600 27.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10248 ATOM 10244 OW SOL 2891 14.130 70.390 24.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10249 ATOM 10245 HW1 SOL 2891 13.550 69.610 25.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10250 ATOM 10246 HW2 SOL 2891 14.160 70.500 24.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10251 ATOM 10247 OW SOL 2892 11.990 62.120 23.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10252 ATOM 10248 HW1 SOL 2892 12.870 62.480 24.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10253 ATOM 10249 HW2 SOL 2892 11.280 62.390 24.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10254 ATOM 10250 OW SOL 2893 17.490 60.900 20.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10255 ATOM 10251 HW1 SOL 2893 17.520 60.440 19.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10256 ATOM 10252 HW2 SOL 2893 17.670 60.240 21.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10257 ATOM 10253 OW SOL 2894 8.150 67.770 26.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10258 ATOM 10254 HW1 SOL 2894 7.450 67.310 26.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10259 ATOM 10255 HW2 SOL 2894 7.730 68.150 25.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10260 ATOM 10256 OW SOL 2895 8.710 62.450 35.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10261 ATOM 10257 HW1 SOL 2895 8.180 62.760 36.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10262 ATOM 10258 HW2 SOL 2895 8.990 63.230 35.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10263 ATOM 10259 OW SOL 2896 8.400 66.160 22.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10264 ATOM 10260 HW1 SOL 2896 8.570 65.540 23.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10265 ATOM 10261 HW2 SOL 2896 7.460 66.050 22.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10266 ATOM 10262 OW SOL 2897 4.300 66.970 34.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10267 ATOM 10263 HW1 SOL 2897 4.870 67.370 35.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10268 ATOM 10264 HW2 SOL 2897 4.140 67.650 34.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10269 ATOM 10265 OW SOL 2898 3.770 67.580 27.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10270 ATOM 10266 HW1 SOL 2898 3.260 66.740 28.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10271 ATOM 10267 HW2 SOL 2898 3.150 68.260 27.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10272 ATOM 10268 OW SOL 2899 13.900 69.920 32.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10273 ATOM 10269 HW1 SOL 2899 13.920 70.890 32.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10274 ATOM 10270 HW2 SOL 2899 13.610 69.380 33.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10275 ATOM 10271 OW SOL 2900 3.590 57.540 31.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10276 ATOM 10272 HW1 SOL 2900 2.890 57.430 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10277 ATOM 10273 HW2 SOL 2900 3.160 57.910 30.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10278 ATOM 10274 OW SOL 2901 16.130 60.300 24.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10279 ATOM 10275 HW1 SOL 2901 15.750 60.580 23.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10280 ATOM 10276 HW2 SOL 2901 15.630 60.760 24.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10281 ATOM 10277 OW SOL 2902 11.130 69.750 35.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10282 ATOM 10278 HW1 SOL 2902 12.040 69.610 35.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10283 ATOM 10279 HW2 SOL 2902 10.910 68.950 36.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10284 ATOM 10280 OW SOL 2903 1.500 69.400 21.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10285 ATOM 10281 HW1 SOL 2903 1.390 70.380 21.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10286 ATOM 10282 HW2 SOL 2903 1.510 68.900 22.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10287 ATOM 10283 OW SOL 2904 5.050 66.220 24.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10288 ATOM 10284 HW1 SOL 2904 4.200 66.050 24.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10289 ATOM 10285 HW2 SOL 2904 5.830 66.170 25.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10290 ATOM 10286 OW SOL 2905 4.960 63.430 18.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10291 ATOM 10287 HW1 SOL 2905 5.270 64.280 17.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10292 ATOM 10288 HW2 SOL 2905 5.600 62.700 18.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10293 ATOM 10289 OW SOL 2906 15.710 56.780 32.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10294 ATOM 10290 HW1 SOL 2906 15.060 57.530 31.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10295 ATOM 10291 HW2 SOL 2906 15.440 56.290 32.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10296 ATOM 10292 OW SOL 2907 0.330 62.090 26.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10297 ATOM 10293 HW1 SOL 2907 1.300 62.260 26.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10298 ATOM 10294 HW2 SOL 2907 -0.180 62.500 25.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10299 ATOM 10295 OW SOL 2908 71.790 68.870 19.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10300 ATOM 10296 HW1 SOL 2908 71.510 67.910 19.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10301 ATOM 10297 HW2 SOL 2908 72.590 69.000 20.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10302 ATOM 10298 OW SOL 2909 16.180 63.840 25.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10303 ATOM 10299 HW1 SOL 2909 16.240 64.820 26.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10304 ATOM 10300 HW2 SOL 2909 15.650 63.380 26.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10305 ATOM 10301 OW SOL 2910 17.390 64.860 22.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10306 ATOM 10302 HW1 SOL 2910 17.450 63.860 22.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10307 ATOM 10303 HW2 SOL 2910 17.700 65.310 23.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10308 ATOM 10304 OW SOL 2911 2.940 63.030 33.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10309 ATOM 10305 HW1 SOL 2911 3.930 63.110 33.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10310 ATOM 10306 HW2 SOL 2911 2.550 63.920 33.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10311 ATOM 10307 OW SOL 2912 6.570 68.680 24.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10312 ATOM 10308 HW1 SOL 2912 6.190 67.820 23.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10313 ATOM 10309 HW2 SOL 2912 6.600 69.340 23.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10314 ATOM 10310 OW SOL 2913 13.520 68.930 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10315 ATOM 10311 HW1 SOL 2913 13.930 68.060 34.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10316 ATOM 10312 HW2 SOL 2913 14.220 69.530 35.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10317 ATOM 10313 OW SOL 2914 7.740 55.870 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10318 ATOM 10314 HW1 SOL 2914 8.010 56.820 22.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10319 ATOM 10315 HW2 SOL 2914 6.780 55.740 22.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10320 ATOM 10316 OW SOL 2915 3.420 65.470 30.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10321 ATOM 10317 HW1 SOL 2915 3.990 64.860 29.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10322 ATOM 10318 HW2 SOL 2915 2.690 64.950 30.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10323 ATOM 10319 OW SOL 2916 16.980 66.770 20.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10324 ATOM 10320 HW1 SOL 2916 16.430 67.460 21.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10325 ATOM 10321 HW2 SOL 2916 17.030 65.950 21.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10326 ATOM 10322 OW SOL 2917 2.540 58.310 37.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10327 ATOM 10323 HW1 SOL 2917 2.420 58.950 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10328 ATOM 10324 HW2 SOL 2917 2.690 57.390 36.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10329 ATOM 10325 OW SOL 2918 12.820 67.640 26.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10330 ATOM 10326 HW1 SOL 2918 11.960 67.850 25.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10331 ATOM 10327 HW2 SOL 2918 12.620 67.190 26.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10332 ATOM 10328 OW SOL 2919 6.660 61.600 16.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10333 ATOM 10329 HW1 SOL 2919 6.870 60.870 16.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10334 ATOM 10330 HW2 SOL 2919 7.370 62.310 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10335 ATOM 10331 OW SOL 2920 12.530 58.890 27.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10336 ATOM 10332 HW1 SOL 2920 12.080 58.040 26.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10337 ATOM 10333 HW2 SOL 2920 13.340 58.670 27.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10338 ATOM 10334 OW SOL 2921 15.320 0.610 19.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10339 ATOM 10335 HW1 SOL 2921 15.950 1.130 20.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10340 ATOM 10336 HW2 SOL 2921 15.130 -0.280 20.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10341 ATOM 10337 OW SOL 2922 8.490 61.320 31.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10342 ATOM 10338 HW1 SOL 2922 8.110 60.910 32.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10343 ATOM 10339 HW2 SOL 2922 9.140 60.680 31.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10344 ATOM 10340 OW SOL 2923 14.090 60.680 34.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10345 ATOM 10341 HW1 SOL 2923 13.860 60.990 35.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10346 ATOM 10342 HW2 SOL 2923 14.910 60.120 34.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10347 ATOM 10343 OW SOL 2924 9.470 64.440 34.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10348 ATOM 10344 HW1 SOL 2924 10.450 64.610 34.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10349 ATOM 10345 HW2 SOL 2924 9.140 64.770 33.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10350 ATOM 10346 OW SOL 2925 10.840 60.270 30.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10351 ATOM 10347 HW1 SOL 2925 11.170 60.900 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10352 ATOM 10348 HW2 SOL 2925 10.700 60.760 29.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10353 ATOM 10349 OW SOL 2926 10.940 62.480 21.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10354 ATOM 10350 HW1 SOL 2926 11.330 62.400 22.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10355 ATOM 10351 HW2 SOL 2926 10.160 63.110 21.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10356 ATOM 10352 OW SOL 2927 2.350 65.470 25.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10357 ATOM 10353 HW1 SOL 2927 2.480 64.490 25.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10358 ATOM 10354 HW2 SOL 2927 1.690 65.630 26.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10359 ATOM 10355 OW SOL 2928 0.580 0.970 32.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10360 ATOM 10356 HW1 SOL 2928 1.080 0.510 33.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10361 ATOM 10357 HW2 SOL 2928 -0.240 1.400 33.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10362 ATOM 10358 OW SOL 2929 7.710 59.810 20.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10363 ATOM 10359 HW1 SOL 2929 8.670 59.950 20.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10364 ATOM 10360 HW2 SOL 2929 7.160 59.800 19.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10365 ATOM 10361 OW SOL 2930 18.960 62.010 34.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10366 ATOM 10362 HW1 SOL 2930 18.320 62.100 34.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10367 ATOM 10363 HW2 SOL 2930 19.140 61.040 33.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10368 ATOM 10364 OW SOL 2931 14.500 65.120 22.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10369 ATOM 10365 HW1 SOL 2931 15.470 65.280 22.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10370 ATOM 10366 HW2 SOL 2931 14.220 65.560 21.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10371 ATOM 10367 OW SOL 2932 6.190 56.970 27.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10372 ATOM 10368 HW1 SOL 2932 5.620 56.550 27.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10373 ATOM 10369 HW2 SOL 2932 5.760 56.860 26.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10374 ATOM 10370 OW SOL 2933 11.250 72.490 22.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10375 ATOM 10371 HW1 SOL 2933 11.020 72.550 21.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10376 ATOM 10372 HW2 SOL 2933 10.450 72.730 22.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10377 ATOM 10373 OW SOL 2934 3.800 72.050 24.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10378 ATOM 10374 HW1 SOL 2934 4.370 71.470 25.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10379 ATOM 10375 HW2 SOL 2934 3.960 73.010 24.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10380 ATOM 10376 OW SOL 2935 17.730 67.720 28.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10381 ATOM 10377 HW1 SOL 2935 17.500 68.570 27.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10382 ATOM 10378 HW2 SOL 2935 16.960 67.440 28.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10383 ATOM 10379 OW SOL 2936 11.270 71.640 32.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10384 ATOM 10380 HW1 SOL 2936 11.880 71.880 33.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10385 ATOM 10381 HW2 SOL 2936 11.240 72.390 31.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10386 ATOM 10382 OW SOL 2937 4.330 63.420 20.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10387 ATOM 10383 HW1 SOL 2937 4.520 63.290 19.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10388 ATOM 10384 HW2 SOL 2937 4.180 62.540 21.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10389 ATOM 10385 OW SOL 2938 12.480 63.480 28.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10390 ATOM 10386 HW1 SOL 2938 12.560 62.510 28.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10391 ATOM 10387 HW2 SOL 2938 12.630 64.040 27.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10392 ATOM 10388 OW SOL 2939 6.150 69.490 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10393 ATOM 10389 HW1 SOL 2939 6.090 68.590 31.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10394 ATOM 10390 HW2 SOL 2939 5.420 69.580 32.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10395 ATOM 10391 OW SOL 2940 2.610 57.450 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10396 ATOM 10392 HW1 SOL 2940 1.720 57.900 34.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10397 ATOM 10393 HW2 SOL 2940 2.700 56.780 34.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10398 ATOM 10394 OW SOL 2941 14.840 70.140 19.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10399 ATOM 10395 HW1 SOL 2941 14.400 70.470 18.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10400 ATOM 10396 HW2 SOL 2941 14.160 69.680 19.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10401 ATOM 10397 OW SOL 2942 13.180 56.160 21.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10402 ATOM 10398 HW1 SOL 2942 12.540 55.430 20.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10403 ATOM 10399 HW2 SOL 2942 13.840 55.820 21.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10404 ATOM 10400 OW SOL 2943 3.830 61.150 22.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10405 ATOM 10401 HW1 SOL 2943 4.030 60.260 21.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10406 ATOM 10402 HW2 SOL 2943 2.840 61.300 22.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10407 ATOM 10403 OW SOL 2944 15.920 58.390 34.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10408 ATOM 10404 HW1 SOL 2944 15.780 58.580 35.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10409 ATOM 10405 HW2 SOL 2944 15.330 57.650 34.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10410 ATOM 10406 OW SOL 2945 7.030 55.220 19.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10411 ATOM 10407 HW1 SOL 2945 7.960 55.180 19.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10412 ATOM 10408 HW2 SOL 2945 6.800 54.350 19.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10413 ATOM 10409 OW SOL 2946 5.900 59.100 35.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10414 ATOM 10410 HW1 SOL 2946 6.180 58.240 35.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10415 ATOM 10411 HW2 SOL 2946 5.110 58.960 36.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10416 ATOM 10412 OW SOL 2947 8.670 71.560 30.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10417 ATOM 10413 HW1 SOL 2947 8.530 71.950 31.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10418 ATOM 10414 HW2 SOL 2947 9.110 70.670 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10419 ATOM 10415 OW SOL 2948 14.690 61.220 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10420 ATOM 10416 HW1 SOL 2948 14.160 61.230 32.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10421 ATOM 10417 HW2 SOL 2948 14.570 62.090 31.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10422 ATOM 10418 OW SOL 2949 7.450 70.130 27.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10423 ATOM 10419 HW1 SOL 2949 7.580 71.030 28.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10424 ATOM 10420 HW2 SOL 2949 7.900 69.430 28.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10425 ATOM 10421 OW SOL 2950 10.840 60.800 27.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10426 ATOM 10422 HW1 SOL 2950 9.970 60.580 27.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10427 ATOM 10423 HW2 SOL 2950 11.550 60.170 27.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10428 ATOM 10424 OW SOL 2951 5.170 55.590 22.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10429 ATOM 10425 HW1 SOL 2951 4.800 55.990 23.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10430 ATOM 10426 HW2 SOL 2951 5.170 56.280 21.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10431 ATOM 10427 OW SOL 2952 13.750 66.270 19.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10432 ATOM 10428 HW1 SOL 2952 13.370 65.760 18.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10433 ATOM 10429 HW2 SOL 2952 13.310 67.170 19.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10434 ATOM 10430 OW SOL 2953 2.280 55.350 19.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10435 ATOM 10431 HW1 SOL 2953 2.760 55.910 18.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10436 ATOM 10432 HW2 SOL 2953 2.940 54.810 19.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10437 ATOM 10433 OW SOL 2954 8.350 58.490 22.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10438 ATOM 10434 HW1 SOL 2954 7.910 58.840 21.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10439 ATOM 10435 HW2 SOL 2954 9.310 58.750 22.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10440 ATOM 10436 OW SOL 2955 12.500 64.090 34.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10441 ATOM 10437 HW1 SOL 2955 12.610 64.240 35.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10442 ATOM 10438 HW2 SOL 2955 13.040 64.770 33.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10443 ATOM 10439 OW SOL 2956 11.580 69.650 22.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10444 ATOM 10440 HW1 SOL 2956 10.610 69.410 22.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10445 ATOM 10441 HW2 SOL 2956 11.670 70.640 22.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10446 ATOM 10442 OW SOL 2957 5.820 65.590 21.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10447 ATOM 10443 HW1 SOL 2957 5.270 65.860 22.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10448 ATOM 10444 HW2 SOL 2957 5.380 64.830 21.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10449 ATOM 10445 OW SOL 2958 10.220 59.850 17.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10450 ATOM 10446 HW1 SOL 2958 10.490 60.660 16.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10451 ATOM 10447 HW2 SOL 2958 10.210 60.060 18.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10452 ATOM 10448 OW SOL 2959 2.310 60.860 32.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10453 ATOM 10449 HW1 SOL 2959 2.820 60.660 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10454 ATOM 10450 HW2 SOL 2959 2.790 61.560 32.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10455 ATOM 10451 OW SOL 2960 5.260 56.240 29.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10456 ATOM 10452 HW1 SOL 2960 6.180 56.490 30.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10457 ATOM 10453 HW2 SOL 2960 4.620 56.420 30.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10458 ATOM 10454 OW SOL 2961 6.700 59.840 24.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10459 ATOM 10455 HW1 SOL 2961 6.790 60.730 23.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10460 ATOM 10456 HW2 SOL 2961 7.360 59.210 23.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10461 ATOM 10457 OW SOL 2962 8.420 55.920 26.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10462 ATOM 10458 HW1 SOL 2962 7.610 56.400 26.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10463 ATOM 10459 HW2 SOL 2962 8.240 55.570 25.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10464 ATOM 10460 OW SOL 2963 13.380 64.870 26.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10465 ATOM 10461 HW1 SOL 2963 12.830 65.240 25.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10466 ATOM 10462 HW2 SOL 2963 14.340 65.120 25.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10467 ATOM 10463 OW SOL 2964 14.610 60.680 26.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10468 ATOM 10464 HW1 SOL 2964 13.810 60.150 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10469 ATOM 10465 HW2 SOL 2964 15.120 60.990 27.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10470 ATOM 10466 OW SOL 2965 19.170 62.550 22.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10471 ATOM 10467 HW1 SOL 2965 19.620 62.810 23.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10472 ATOM 10468 HW2 SOL 2965 18.920 61.580 22.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10473 ATOM 10469 OW SOL 2966 5.750 70.650 20.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10474 ATOM 10470 HW1 SOL 2966 4.810 70.310 19.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10475 ATOM 10471 HW2 SOL 2966 5.940 71.170 19.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10476 ATOM 10472 OW SOL 2967 15.850 66.710 25.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10477 ATOM 10473 HW1 SOL 2967 16.600 67.350 25.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10478 ATOM 10474 HW2 SOL 2967 14.990 67.210 25.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10479 ATOM 10475 OW SOL 2968 13.290 59.960 18.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10480 ATOM 10476 HW1 SOL 2968 12.450 59.590 18.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10481 ATOM 10477 HW2 SOL 2968 14.080 59.580 18.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10482 ATOM 10478 OW SOL 2969 5.460 57.610 20.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10483 ATOM 10479 HW1 SOL 2969 6.080 56.910 20.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10484 ATOM 10480 HW2 SOL 2969 5.440 58.390 19.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10485 ATOM 10481 OW SOL 2970 17.720 71.190 33.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10486 ATOM 10482 HW1 SOL 2970 18.380 71.120 34.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10487 ATOM 10483 HW2 SOL 2970 17.060 70.440 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10488 ATOM 10484 OW SOL 2971 10.230 69.460 31.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10489 ATOM 10485 HW1 SOL 2971 9.550 69.220 32.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10490 ATOM 10486 HW2 SOL 2971 10.750 70.260 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10491 ATOM 10487 OW SOL 2972 13.600 72.070 33.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10492 ATOM 10488 HW1 SOL 2972 13.800 73.050 33.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10493 ATOM 10489 HW2 SOL 2972 13.660 71.820 34.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10494 ATOM 10490 OW SOL 2973 11.590 68.630 29.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10495 ATOM 10491 HW1 SOL 2973 10.960 68.830 29.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10496 ATOM 10492 HW2 SOL 2973 11.140 68.770 28.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10497 ATOM 10493 OW SOL 2974 15.620 67.250 29.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10498 ATOM 10494 HW1 SOL 2974 16.250 67.540 30.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10499 ATOM 10495 HW2 SOL 2974 14.710 67.130 30.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10500 ATOM 10496 OW SOL 2975 10.480 57.030 30.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10501 ATOM 10497 HW1 SOL 2975 11.400 56.650 30.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10502 ATOM 10498 HW2 SOL 2975 10.450 57.750 30.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10503 ATOM 10499 OW SOL 2976 7.740 66.720 35.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10504 ATOM 10500 HW1 SOL 2976 7.790 66.710 36.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10505 ATOM 10501 HW2 SOL 2976 8.370 66.040 34.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10506 ATOM 10502 OW SOL 2977 8.710 64.110 21.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10507 ATOM 10503 HW1 SOL 2977 8.570 64.920 21.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10508 ATOM 10504 HW2 SOL 2977 8.760 64.390 20.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10509 ATOM 10505 OW SOL 2978 5.050 63.450 28.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10510 ATOM 10506 HW1 SOL 2978 5.670 63.430 29.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10511 ATOM 10507 HW2 SOL 2978 4.490 62.630 28.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10512 ATOM 10508 OW SOL 2979 13.980 58.760 31.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10513 ATOM 10509 HW1 SOL 2979 14.380 59.680 31.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10514 ATOM 10510 HW2 SOL 2979 13.290 58.680 31.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10515 ATOM 10511 OW SOL 2980 0.590 71.930 30.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10516 ATOM 10512 HW1 SOL 2980 0.360 72.450 31.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10517 ATOM 10513 HW2 SOL 2980 1.040 71.080 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10518 ATOM 10514 OW SOL 2981 2.090 65.080 21.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10519 ATOM 10515 HW1 SOL 2981 2.950 64.570 21.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10520 ATOM 10516 HW2 SOL 2981 1.340 64.460 21.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10521 ATOM 10517 OW SOL 2982 4.110 59.050 24.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10522 ATOM 10518 HW1 SOL 2982 3.920 59.320 23.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10523 ATOM 10519 HW2 SOL 2982 5.090 59.120 24.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10524 ATOM 10520 OW SOL 2983 15.840 68.510 22.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10525 ATOM 10521 HW1 SOL 2983 16.060 69.320 21.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10526 ATOM 10522 HW2 SOL 2983 15.190 68.760 22.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10527 ATOM 10523 OW SOL 2984 13.980 69.870 29.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10528 ATOM 10524 HW1 SOL 2984 13.880 70.110 30.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10529 ATOM 10525 HW2 SOL 2984 13.240 69.250 29.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10530 ATOM 10526 OW SOL 2985 15.280 61.460 21.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10531 ATOM 10527 HW1 SOL 2985 15.130 62.160 22.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10532 ATOM 10528 HW2 SOL 2985 16.130 61.660 21.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10533 ATOM 10529 OW SOL 2986 1.910 69.770 31.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10534 ATOM 10530 HW1 SOL 2986 2.680 70.250 31.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10535 ATOM 10531 HW2 SOL 2986 2.190 68.850 32.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10536 ATOM 10532 OW SOL 2987 5.680 62.750 33.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10537 ATOM 10533 HW1 SOL 2987 6.010 63.030 32.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10538 ATOM 10534 HW2 SOL 2987 6.150 61.910 33.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10539 ATOM 10535 OW SOL 2988 16.390 65.240 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10540 ATOM 10536 HW1 SOL 2988 16.030 64.470 35.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10541 ATOM 10537 HW2 SOL 2988 17.210 65.590 35.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10542 ATOM 10538 OW SOL 2989 9.830 57.960 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10543 ATOM 10539 HW1 SOL 2989 9.490 57.880 33.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10544 ATOM 10540 HW2 SOL 2989 9.120 58.350 32.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10545 ATOM 10541 OW SOL 2990 5.390 56.850 34.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10546 ATOM 10542 HW1 SOL 2990 5.380 56.060 33.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10547 ATOM 10543 HW2 SOL 2990 4.860 57.600 33.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10548 ATOM 10544 OW SOL 2991 6.570 62.970 26.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10549 ATOM 10545 HW1 SOL 2991 5.870 62.690 27.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10550 ATOM 10546 HW2 SOL 2991 6.230 62.830 25.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10551 ATOM 10547 OW SOL 2992 10.820 64.600 30.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10552 ATOM 10548 HW1 SOL 2992 11.380 64.270 29.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10553 ATOM 10549 HW2 SOL 2992 10.830 63.940 31.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10554 ATOM 10550 OW SOL 2993 10.320 60.060 20.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10555 ATOM 10551 HW1 SOL 2993 10.640 59.270 20.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10556 ATOM 10552 HW2 SOL 2993 10.680 60.900 20.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10557 ATOM 10553 OW SOL 2994 0.520 57.180 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10558 ATOM 10554 HW1 SOL 2994 0.450 57.780 31.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10559 ATOM 10555 HW2 SOL 2994 0.210 56.260 30.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10560 ATOM 10556 OW SOL 2995 70.210 68.820 30.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10561 ATOM 10557 HW1 SOL 2995 69.720 68.120 31.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10562 ATOM 10558 HW2 SOL 2995 71.190 68.620 30.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10563 ATOM 10559 OW SOL 2996 8.260 60.190 26.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10564 ATOM 10560 HW1 SOL 2996 7.720 59.790 25.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10565 ATOM 10561 HW2 SOL 2996 7.950 61.120 26.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10566 ATOM 10562 OW SOL 2997 17.820 66.760 37.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10567 ATOM 10563 HW1 SOL 2997 16.880 67.080 37.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10568 ATOM 10564 HW2 SOL 2997 18.110 66.790 38.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10569 ATOM 10565 OW SOL 2998 4.470 56.300 24.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10570 ATOM 10566 HW1 SOL 2998 4.120 57.240 24.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10571 ATOM 10567 HW2 SOL 2998 3.990 55.820 25.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10572 ATOM 10568 OW SOL 2999 14.930 58.810 20.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10573 ATOM 10569 HW1 SOL 2999 15.810 58.380 20.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10574 ATOM 10570 HW2 SOL 2999 14.830 59.640 20.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10575 ATOM 10571 OW SOL 3000 10.370 62.940 25.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10576 ATOM 10572 HW1 SOL 3000 10.060 63.880 25.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10577 ATOM 10573 HW2 SOL 3000 10.400 62.710 26.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10578 ATOM 10574 OW SOL 3001 9.950 71.690 37.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10579 ATOM 10575 HW1 SOL 3001 10.480 72.530 37.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10580 ATOM 10576 HW2 SOL 3001 10.490 70.900 37.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10581 ATOM 10577 OW SOL 3002 17.090 72.170 37.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10582 ATOM 10578 HW1 SOL 3002 17.350 73.020 37.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10583 ATOM 10579 HW2 SOL 3002 16.420 71.680 37.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10584 ATOM 10580 OW SOL 3003 4.980 64.410 35.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10585 ATOM 10581 HW1 SOL 3003 4.880 65.310 35.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10586 ATOM 10582 HW2 SOL 3003 5.470 63.810 35.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10587 ATOM 10583 OW SOL 3004 14.900 56.560 18.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10588 ATOM 10584 HW1 SOL 3004 14.520 55.660 18.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10589 ATOM 10585 HW2 SOL 3004 14.850 57.150 19.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10590 ATOM 10586 OW SOL 3005 14.020 62.500 17.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10591 ATOM 10587 HW1 SOL 3005 13.660 61.640 17.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10592 ATOM 10588 HW2 SOL 3005 14.070 62.450 16.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10593 ATOM 10589 OW SOL 3006 10.290 69.160 26.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10594 ATOM 10590 HW1 SOL 3006 9.490 68.700 26.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10595 ATOM 10591 HW2 SOL 3006 10.270 70.130 26.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10596 ATOM 10592 OW SOL 3007 2.880 62.530 25.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10597 ATOM 10593 HW1 SOL 3007 3.710 62.740 25.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10598 ATOM 10594 HW2 SOL 3007 2.890 61.580 25.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10599 ATOM 10595 OW SOL 3008 2.970 59.620 26.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10600 ATOM 10596 HW1 SOL 3008 2.460 58.830 27.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10601 ATOM 10597 HW2 SOL 3008 3.480 59.350 26.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10602 ATOM 10598 OW SOL 3009 9.400 57.880 35.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10603 ATOM 10599 HW1 SOL 3009 10.050 58.600 35.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10604 ATOM 10600 HW2 SOL 3009 9.330 57.210 36.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10605 ATOM 10601 OW SOL 3010 12.460 58.700 33.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10606 ATOM 10602 HW1 SOL 3010 11.470 58.630 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10607 ATOM 10603 HW2 SOL 3010 12.710 59.530 33.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10608 ATOM 10604 OW SOL 3011 2.310 66.210 18.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10609 ATOM 10605 HW1 SOL 3011 2.250 65.680 19.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10610 ATOM 10606 HW2 SOL 3011 1.770 65.760 18.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10611 ATOM 10607 OW SOL 3012 3.310 70.850 27.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10612 ATOM 10608 HW1 SOL 3012 2.460 70.480 27.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10613 ATOM 10609 HW2 SOL 3012 4.050 70.710 27.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10614 ATOM 10610 OW SOL 3013 5.260 70.390 26.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10615 ATOM 10611 HW1 SOL 3013 6.010 70.470 26.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10616 ATOM 10612 HW2 SOL 3013 5.380 69.550 25.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10617 ATOM 10613 OW SOL 3014 11.020 62.710 32.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10618 ATOM 10614 HW1 SOL 3014 11.480 62.990 33.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10619 ATOM 10615 HW2 SOL 3014 10.210 62.170 32.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10620 ATOM 10616 OW SOL 3015 72.330 61.930 31.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10621 ATOM 10617 HW1 SOL 3015 72.110 61.680 30.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10622 ATOM 10618 HW2 SOL 3015 73.020 61.310 31.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10623 ATOM 10619 OW SOL 3016 2.560 60.330 35.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10624 ATOM 10620 HW1 SOL 3016 2.520 60.130 34.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10625 ATOM 10621 HW2 SOL 3016 2.440 61.320 35.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10626 ATOM 10622 OW SOL 3017 15.220 67.110 37.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10627 ATOM 10623 HW1 SOL 3017 15.440 66.280 36.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10628 ATOM 10624 HW2 SOL 3017 15.160 67.890 36.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10629 ATOM 10625 OW SOL 3018 7.340 61.580 22.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10630 ATOM 10626 HW1 SOL 3018 7.540 60.760 21.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10631 ATOM 10627 HW2 SOL 3018 7.870 62.350 21.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10632 ATOM 10628 OW SOL 3019 16.220 62.060 28.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10633 ATOM 10629 HW1 SOL 3019 16.820 61.590 29.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10634 ATOM 10630 HW2 SOL 3019 16.340 63.050 28.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10635 ATOM 10631 OW SOL 3020 4.510 69.490 33.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10636 ATOM 10632 HW1 SOL 3020 3.670 70.030 33.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10637 ATOM 10633 HW2 SOL 3020 4.940 69.680 34.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10638 ATOM 10634 OW SOL 3021 6.510 59.370 28.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10639 ATOM 10635 HW1 SOL 3021 6.340 58.580 28.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10640 ATOM 10636 HW2 SOL 3021 7.200 59.960 28.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10641 ATOM 10637 OW SOL 3022 5.680 59.700 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10642 ATOM 10638 HW1 SOL 3022 5.880 60.070 17.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10643 ATOM 10639 HW2 SOL 3022 4.860 60.140 19.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10644 ATOM 10640 OW SOL 3023 2.420 67.180 32.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10645 ATOM 10641 HW1 SOL 3023 2.170 66.650 32.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10646 ATOM 10642 HW2 SOL 3023 2.890 66.590 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10647 ATOM 10643 OW SOL 3024 12.910 66.430 30.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10648 ATOM 10644 HW1 SOL 3024 12.280 65.680 30.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10649 ATOM 10645 HW2 SOL 3024 12.530 67.280 30.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10650 ATOM 10646 OW SOL 3025 16.760 62.850 18.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10651 ATOM 10647 HW1 SOL 3025 17.090 62.100 19.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10652 ATOM 10648 HW2 SOL 3025 15.760 62.800 18.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10653 ATOM 10649 OW SOL 3026 17.310 71.770 29.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10654 ATOM 10650 HW1 SOL 3026 17.450 72.500 28.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10655 ATOM 10651 HW2 SOL 3026 16.460 71.940 29.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10656 ATOM 10652 OW SOL 3027 14.220 72.330 28.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10657 ATOM 10653 HW1 SOL 3027 13.340 72.800 28.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10658 ATOM 10654 HW2 SOL 3027 14.090 71.360 28.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10659 ATOM 10655 OW SOL 3028 0.260 68.450 29.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10660 ATOM 10656 HW1 SOL 3028 0.720 69.200 30.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10661 ATOM 10657 HW2 SOL 3028 0.550 67.580 30.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10662 ATOM 10658 OW SOL 3029 17.580 57.750 20.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10663 ATOM 10659 HW1 SOL 3029 18.270 57.410 20.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10664 ATOM 10660 HW2 SOL 3029 17.130 56.970 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10665 ATOM 10661 OW SOL 3030 14.880 71.680 22.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10666 ATOM 10662 HW1 SOL 3030 15.880 71.620 22.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10667 ATOM 10663 HW2 SOL 3030 14.610 72.640 22.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10668 ATOM 10664 OW SOL 3031 1.670 71.220 34.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10669 ATOM 10665 HW1 SOL 3031 0.970 70.530 34.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10670 ATOM 10666 HW2 SOL 3031 2.390 71.160 35.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10671 ATOM 10667 OW SOL 3032 14.600 63.120 23.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10672 ATOM 10668 HW1 SOL 3032 15.030 63.490 24.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10673 ATOM 10669 HW2 SOL 3032 14.520 63.830 23.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10674 ATOM 10670 OW SOL 3033 8.330 68.630 33.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10675 ATOM 10671 HW1 SOL 3033 7.460 68.900 32.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10676 ATOM 10672 HW2 SOL 3033 8.160 67.910 33.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10677 ATOM 10673 OW SOL 3034 8.220 68.920 18.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10678 ATOM 10674 HW1 SOL 3034 7.680 68.490 18.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10679 ATOM 10675 HW2 SOL 3034 7.700 68.930 17.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10680 ATOM 10676 OW SOL 3035 18.470 58.750 28.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10681 ATOM 10677 HW1 SOL 3035 18.420 57.870 28.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10682 ATOM 10678 HW2 SOL 3035 18.400 58.620 29.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10683 ATOM 10679 OW SOL 3036 1.440 57.230 25.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10684 ATOM 10680 HW1 SOL 3036 1.560 56.260 25.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10685 ATOM 10681 HW2 SOL 3036 1.380 57.320 26.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10686 ATOM 10682 OW SOL 3037 10.110 0.260 19.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10687 ATOM 10683 HW1 SOL 3037 10.030 -0.730 19.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10688 ATOM 10684 HW2 SOL 3037 10.300 0.690 18.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10689 ATOM 10685 OW SOL 3038 8.450 65.330 31.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10690 ATOM 10686 HW1 SOL 3038 9.180 65.280 30.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10691 ATOM 10687 HW2 SOL 3038 8.310 66.290 31.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10692 ATOM 10688 OW SOL 3039 10.080 63.300 18.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10693 ATOM 10689 HW1 SOL 3039 10.830 63.700 18.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10694 ATOM 10690 HW2 SOL 3039 10.440 62.900 19.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10695 ATOM 10691 OW SOL 3040 5.720 67.290 30.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10696 ATOM 10692 HW1 SOL 3040 5.810 67.620 29.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10697 ATOM 10693 HW2 SOL 3040 4.970 66.630 30.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10698 ATOM 10694 OW SOL 3041 16.690 67.980 32.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10699 ATOM 10695 HW1 SOL 3041 17.190 67.800 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10700 ATOM 10696 HW2 SOL 3041 15.740 68.200 32.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10701 ATOM 10697 OW SOL 3042 12.090 65.510 23.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10702 ATOM 10698 HW1 SOL 3042 11.400 65.910 22.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10703 ATOM 10699 HW2 SOL 3042 12.920 65.320 22.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10704 ATOM 10700 OW SOL 3043 11.130 56.620 26.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10705 ATOM 10701 HW1 SOL 3043 10.160 56.780 26.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10706 ATOM 10702 HW2 SOL 3043 11.210 55.800 27.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10707 ATOM 10703 OW SOL 3044 6.820 70.430 22.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10708 ATOM 10704 HW1 SOL 3044 6.540 70.530 21.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10709 ATOM 10705 HW2 SOL 3044 6.820 71.330 22.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10710 ATOM 10706 OW SOL 3045 17.380 61.210 31.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10711 ATOM 10707 HW1 SOL 3045 16.420 61.210 31.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10712 ATOM 10708 HW2 SOL 3045 17.760 62.130 31.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10713 ATOM 10709 OW SOL 3046 3.280 68.530 19.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10714 ATOM 10710 HW1 SOL 3046 3.110 67.630 19.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10715 ATOM 10711 HW2 SOL 3046 2.700 68.660 20.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10716 ATOM 10712 OW SOL 3047 1.150 65.550 34.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10717 ATOM 10713 HW1 SOL 3047 0.300 65.270 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10718 ATOM 10714 HW2 SOL 3047 0.950 66.090 35.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10719 ATOM 10715 OW SOL 3048 7.580 57.220 30.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10720 ATOM 10716 HW1 SOL 3048 8.480 57.240 29.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10721 ATOM 10717 HW2 SOL 3048 7.140 58.120 30.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10722 ATOM 10718 OW SOL 3049 71.350 57.320 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10723 ATOM 10719 HW1 SOL 3049 70.450 57.140 16.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10724 ATOM 10720 HW2 SOL 3049 71.360 58.240 15.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10725 ATOM 10721 OW SOL 3050 13.890 66.390 33.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10726 ATOM 10722 HW1 SOL 3050 13.360 66.540 32.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10727 ATOM 10723 HW2 SOL 3050 14.610 65.720 33.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10728 ATOM 10724 OW SOL 3051 0.330 55.770 20.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10729 ATOM 10725 HW1 SOL 3051 0.750 55.630 21.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10730 ATOM 10726 HW2 SOL 3051 1.030 55.780 20.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10731 ATOM 10727 OW SOL 3052 12.600 68.940 20.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10732 ATOM 10728 HW1 SOL 3052 11.780 69.350 20.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10733 ATOM 10729 HW2 SOL 3052 12.510 68.920 21.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10734 ATOM 10730 OW SOL 3053 6.930 63.200 30.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10735 ATOM 10731 HW1 SOL 3053 7.520 64.010 30.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10736 ATOM 10732 HW2 SOL 3053 7.470 62.430 31.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10737 ATOM 10733 OW SOL 3054 12.440 0.020 25.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10738 ATOM 10734 HW1 SOL 3054 12.400 0.350 24.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10739 ATOM 10735 HW2 SOL 3054 13.250 -0.570 25.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10740 ATOM 10736 OW SOL 3055 7.320 60.630 33.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10741 ATOM 10737 HW1 SOL 3055 7.600 61.350 34.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10742 ATOM 10738 HW2 SOL 3055 6.730 59.980 34.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10743 ATOM 10739 OW SOL 3056 16.060 69.230 35.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10744 ATOM 10740 HW1 SOL 3056 16.040 70.200 35.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10745 ATOM 10741 HW2 SOL 3056 16.980 68.870 35.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10746 ATOM 10742 OW SOL 3057 14.410 63.590 30.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10747 ATOM 10743 HW1 SOL 3057 15.180 63.860 29.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10748 ATOM 10744 HW2 SOL 3057 13.630 63.340 29.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10749 ATOM 10745 OW SOL 3058 11.460 58.180 21.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10750 ATOM 10746 HW1 SOL 3058 12.150 57.590 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10751 ATOM 10747 HW2 SOL 3058 11.800 58.520 22.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10752 ATOM 10748 OW SOL 3059 5.030 62.920 24.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10753 ATOM 10749 HW1 SOL 3059 5.220 63.850 23.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10754 ATOM 10750 HW2 SOL 3059 4.940 62.300 23.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10755 ATOM 10751 OW SOL 3060 18.570 59.280 34.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10756 ATOM 10752 HW1 SOL 3060 18.710 58.460 33.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10757 ATOM 10753 HW2 SOL 3060 17.630 59.300 34.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10758 ATOM 10754 OW SOL 3061 15.830 64.560 32.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10759 ATOM 10755 HW1 SOL 3061 16.740 64.170 32.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10760 ATOM 10756 HW2 SOL 3061 15.170 64.150 32.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10761 ATOM 10757 OW SOL 3062 9.860 70.070 19.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10762 ATOM 10758 HW1 SOL 3062 9.670 69.840 20.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10763 ATOM 10759 HW2 SOL 3062 9.110 69.750 19.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10764 ATOM 10760 OW SOL 3063 8.410 64.950 25.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10765 ATOM 10761 HW1 SOL 3063 7.660 64.400 25.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10766 ATOM 10762 HW2 SOL 3063 8.390 65.860 25.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10767 ATOM 10763 OW SOL 3064 12.410 64.470 17.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10768 ATOM 10764 HW1 SOL 3064 12.440 65.180 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10769 ATOM 10765 HW2 SOL 3064 13.040 63.730 17.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10770 ATOM 10766 OW SOL 3065 18.770 72.140 26.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10771 ATOM 10767 HW1 SOL 3065 18.250 71.280 26.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10772 ATOM 10768 HW2 SOL 3065 19.630 71.970 26.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10773 ATOM 10769 OW SOL 3066 5.350 67.180 37.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10774 ATOM 10770 HW1 SOL 3066 4.450 66.760 37.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10775 ATOM 10771 HW2 SOL 3066 6.050 66.470 37.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10776 ATOM 10772 OW SOL 3067 1.500 67.120 23.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10777 ATOM 10773 HW1 SOL 3067 1.980 66.740 24.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10778 ATOM 10774 HW2 SOL 3067 1.680 66.560 22.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10779 ATOM 10775 OW SOL 3068 8.890 71.240 34.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10780 ATOM 10776 HW1 SOL 3068 8.950 70.410 33.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10781 ATOM 10777 HW2 SOL 3068 9.560 71.180 35.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10782 ATOM 10778 OW SOL 3069 17.970 58.360 31.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10783 ATOM 10779 HW1 SOL 3069 17.180 57.830 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10784 ATOM 10780 HW2 SOL 3069 17.840 59.310 31.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10785 ATOM 10781 OW SOL 3070 3.150 58.530 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10786 ATOM 10782 HW1 SOL 3070 3.920 58.160 21.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10787 ATOM 10783 HW2 SOL 3070 2.510 57.790 21.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10788 ATOM 10784 OW SOL 3071 16.400 70.290 26.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10789 ATOM 10785 HW1 SOL 3071 15.610 70.400 26.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10790 ATOM 10786 HW2 SOL 3071 16.180 70.630 27.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10791 ATOM 10787 OW SOL 3072 4.040 60.850 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10792 ATOM 10788 HW1 SOL 3072 4.890 60.320 29.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10793 ATOM 10789 HW2 SOL 3072 3.390 60.400 28.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10794 ATOM 10790 OW SOL 3073 10.040 71.920 26.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10795 ATOM 10791 HW1 SOL 3073 10.940 71.920 25.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10796 ATOM 10792 HW2 SOL 3073 9.370 72.370 25.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10797 ATOM 10793 OW SOL 3074 14.690 58.490 28.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10798 ATOM 10794 HW1 SOL 3074 15.060 57.590 28.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10799 ATOM 10795 HW2 SOL 3074 14.550 58.590 29.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10800 ATOM 10796 OW SOL 3075 12.840 55.650 29.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10801 ATOM 10797 HW1 SOL 3075 12.250 55.070 28.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10802 ATOM 10798 HW2 SOL 3075 13.740 55.730 29.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10803 ATOM 10799 OW SOL 3076 9.200 68.860 22.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10804 ATOM 10800 HW1 SOL 3076 9.010 67.980 22.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10805 ATOM 10801 HW2 SOL 3076 8.380 69.430 22.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10806 ATOM 10802 OW SOL 3077 4.170 71.000 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10807 ATOM 10803 HW1 SOL 3077 5.010 70.540 30.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10808 ATOM 10804 HW2 SOL 3077 3.980 70.800 29.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10809 ATOM 10805 OW SOL 3078 14.000 53.960 18.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10810 ATOM 10806 HW1 SOL 3078 13.810 53.450 18.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10811 ATOM 10807 HW2 SOL 3078 13.170 54.010 19.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10812 ATOM 10808 OW SOL 3079 12.520 59.330 23.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10813 ATOM 10809 HW1 SOL 3079 12.480 60.330 23.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10814 ATOM 10810 HW2 SOL 3079 13.360 59.000 24.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10815 ATOM 10811 OW SOL 3080 16.450 58.240 26.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10816 ATOM 10812 HW1 SOL 3080 16.050 58.780 26.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10817 ATOM 10813 HW2 SOL 3080 16.410 58.770 25.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10818 ATOM 10814 OW SOL 3081 1.010 61.030 21.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10819 ATOM 10815 HW1 SOL 3081 0.750 60.450 22.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10820 ATOM 10816 HW2 SOL 3081 1.090 60.470 21.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10821 ATOM 10817 OW SOL 3082 1.430 62.310 37.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10822 ATOM 10818 HW1 SOL 3082 0.800 63.040 37.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10823 ATOM 10819 HW2 SOL 3082 2.360 62.560 37.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10824 ATOM 10820 OW SOL 3083 1.690 56.990 45.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10825 ATOM 10821 HW1 SOL 3083 2.280 56.600 46.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10826 ATOM 10822 HW2 SOL 3083 0.900 56.390 45.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10827 ATOM 10823 OW SOL 3084 71.930 60.030 42.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10828 ATOM 10824 HW1 SOL 3084 71.050 59.800 43.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10829 ATOM 10825 HW2 SOL 3084 72.240 60.920 43.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10830 ATOM 10826 OW SOL 3085 4.280 67.190 49.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10831 ATOM 10827 HW1 SOL 3085 3.940 66.490 50.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10832 ATOM 10828 HW2 SOL 3085 4.670 67.950 50.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10833 ATOM 10829 OW SOL 3086 14.200 71.580 44.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10834 ATOM 10830 HW1 SOL 3086 13.780 70.730 45.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10835 ATOM 10831 HW2 SOL 3086 14.080 71.670 43.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10836 ATOM 10832 OW SOL 3087 9.040 64.590 41.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10837 ATOM 10833 HW1 SOL 3087 9.780 65.260 41.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10838 ATOM 10834 HW2 SOL 3087 8.580 64.480 42.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10839 ATOM 10835 OW SOL 3088 18.140 63.730 38.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10840 ATOM 10836 HW1 SOL 3088 17.340 63.150 38.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10841 ATOM 10837 HW2 SOL 3088 17.950 64.300 37.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10842 ATOM 10838 OW SOL 3089 6.640 65.980 49.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10843 ATOM 10839 HW1 SOL 3089 5.770 66.460 49.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10844 ATOM 10840 HW2 SOL 3089 7.390 66.630 49.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10845 ATOM 10841 OW SOL 3090 9.890 61.520 52.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10846 ATOM 10842 HW1 SOL 3090 9.630 62.270 53.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10847 ATOM 10843 HW2 SOL 3090 10.650 61.800 51.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10848 ATOM 10844 OW SOL 3091 7.730 65.050 44.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10849 ATOM 10845 HW1 SOL 3091 7.950 65.110 44.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10850 ATOM 10846 HW2 SOL 3091 6.740 65.100 43.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10851 ATOM 10847 OW SOL 3092 8.030 65.610 56.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10852 ATOM 10848 HW1 SOL 3092 7.650 65.290 56.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10853 ATOM 10849 HW2 SOL 3092 7.350 66.190 55.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10854 ATOM 10850 OW SOL 3093 4.010 69.020 45.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10855 ATOM 10851 HW1 SOL 3093 4.610 68.350 45.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10856 ATOM 10852 HW2 SOL 3093 4.350 69.230 44.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10857 ATOM 10853 OW SOL 3094 14.440 70.650 50.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10858 ATOM 10854 HW1 SOL 3094 14.810 69.910 51.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10859 ATOM 10855 HW2 SOL 3094 13.680 71.090 51.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10860 ATOM 10856 OW SOL 3095 5.730 56.840 48.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10861 ATOM 10857 HW1 SOL 3095 6.690 56.610 49.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10862 ATOM 10858 HW2 SOL 3095 5.370 57.340 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10863 ATOM 10859 OW SOL 3096 15.800 61.150 43.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10864 ATOM 10860 HW1 SOL 3096 15.320 61.480 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10865 ATOM 10861 HW2 SOL 3096 15.290 61.410 44.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10866 ATOM 10862 OW SOL 3097 11.590 68.360 52.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10867 ATOM 10863 HW1 SOL 3097 12.260 69.080 52.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10868 ATOM 10864 HW2 SOL 3097 10.700 68.650 53.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10869 ATOM 10865 OW SOL 3098 2.520 71.170 40.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10870 ATOM 10866 HW1 SOL 3098 3.450 71.490 40.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10871 ATOM 10867 HW2 SOL 3098 2.030 71.860 39.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10872 ATOM 10868 OW SOL 3099 3.730 64.990 45.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10873 ATOM 10869 HW1 SOL 3099 2.890 65.480 45.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10874 ATOM 10870 HW2 SOL 3099 4.480 65.640 45.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10875 ATOM 10871 OW SOL 3100 7.500 65.650 37.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10876 ATOM 10872 HW1 SOL 3100 8.480 65.420 37.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10877 ATOM 10873 HW2 SOL 3100 7.210 65.880 38.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10878 ATOM 10874 OW SOL 3101 15.570 57.700 49.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10879 ATOM 10875 HW1 SOL 3101 14.620 57.880 48.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10880 ATOM 10876 HW2 SOL 3101 15.650 57.600 50.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10881 ATOM 10877 OW SOL 3102 0.730 63.840 41.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10882 ATOM 10878 HW1 SOL 3102 0.520 63.700 42.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10883 ATOM 10879 HW2 SOL 3102 0.120 64.520 41.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10884 ATOM 10880 OW SOL 3103 72.210 69.220 35.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10885 ATOM 10881 HW1 SOL 3103 72.200 68.710 34.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10886 ATOM 10882 HW2 SOL 3103 72.460 68.610 36.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10887 ATOM 10883 OW SOL 3104 15.390 65.420 43.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10888 ATOM 10884 HW1 SOL 3104 16.110 64.740 43.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10889 ATOM 10885 HW2 SOL 3104 15.590 66.220 42.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10890 ATOM 10886 OW SOL 3105 16.550 67.440 41.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10891 ATOM 10887 HW1 SOL 3105 17.540 67.320 41.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10892 ATOM 10888 HW2 SOL 3105 16.390 68.190 42.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10893 ATOM 10889 OW SOL 3106 1.590 63.190 53.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10894 ATOM 10890 HW1 SOL 3106 2.290 62.480 53.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10895 ATOM 10891 HW2 SOL 3106 0.690 62.760 53.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10896 ATOM 10892 OW SOL 3107 7.680 67.990 43.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10897 ATOM 10893 HW1 SOL 3107 8.050 67.110 43.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10898 ATOM 10894 HW2 SOL 3107 8.430 68.640 43.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10899 ATOM 10895 OW SOL 3108 14.010 65.120 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10900 ATOM 10896 HW1 SOL 3108 14.950 65.270 49.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10901 ATOM 10897 HW2 SOL 3108 13.530 65.990 49.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10902 ATOM 10898 OW SOL 3109 7.710 56.950 41.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10903 ATOM 10899 HW1 SOL 3109 8.050 57.700 40.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10904 ATOM 10900 HW2 SOL 3109 6.710 57.030 41.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10905 ATOM 10901 OW SOL 3110 3.990 64.810 51.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10906 ATOM 10902 HW1 SOL 3110 3.530 63.970 50.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10907 ATOM 10903 HW2 SOL 3110 3.870 64.930 52.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10908 ATOM 10904 OW SOL 3111 14.370 67.880 39.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10909 ATOM 10905 HW1 SOL 3111 14.360 67.310 39.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10910 ATOM 10906 HW2 SOL 3111 15.220 67.750 40.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10911 ATOM 10907 OW SOL 3112 2.770 56.700 56.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10912 ATOM 10908 HW1 SOL 3112 3.020 57.670 56.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10913 ATOM 10909 HW2 SOL 3112 1.780 56.610 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10914 ATOM 10910 OW SOL 3113 12.850 69.460 45.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10915 ATOM 10911 HW1 SOL 3113 11.860 69.580 45.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10916 ATOM 10912 HW2 SOL 3113 13.080 68.530 45.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10917 ATOM 10913 OW SOL 3114 4.070 62.850 37.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10918 ATOM 10914 HW1 SOL 3114 4.440 63.500 36.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10919 ATOM 10915 HW2 SOL 3114 3.880 63.320 38.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10920 ATOM 10916 OW SOL 3115 12.870 59.000 45.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10921 ATOM 10917 HW1 SOL 3115 12.240 58.570 46.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10922 ATOM 10918 HW2 SOL 3115 12.370 59.650 45.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10923 ATOM 10919 OW SOL 3116 7.650 59.880 49.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10924 ATOM 10920 HW1 SOL 3116 7.820 58.910 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10925 ATOM 10921 HW2 SOL 3116 7.060 59.970 48.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10926 ATOM 10922 OW SOL 3117 13.850 60.440 53.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10927 ATOM 10923 HW1 SOL 3117 14.020 60.490 54.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10928 ATOM 10924 HW2 SOL 3117 14.690 60.150 52.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10929 ATOM 10925 OW SOL 3118 10.880 63.120 49.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10930 ATOM 10926 HW1 SOL 3118 11.300 63.250 50.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10931 ATOM 10927 HW2 SOL 3118 10.880 64.000 48.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10932 ATOM 10928 OW SOL 3119 10.650 58.640 47.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10933 ATOM 10929 HW1 SOL 3119 10.270 59.550 47.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10934 ATOM 10930 HW2 SOL 3119 10.090 58.150 46.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10935 ATOM 10931 OW SOL 3120 9.560 63.120 39.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10936 ATOM 10932 HW1 SOL 3120 9.510 63.470 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10937 ATOM 10933 HW2 SOL 3120 8.640 62.900 38.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10938 ATOM 10934 OW SOL 3121 0.630 63.280 44.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10939 ATOM 10935 HW1 SOL 3121 1.410 62.660 44.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10940 ATOM 10936 HW2 SOL 3121 0.920 64.200 44.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10941 ATOM 10937 OW SOL 3122 0.140 1.150 52.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10942 ATOM 10938 HW1 SOL 3122 -0.330 1.080 53.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10943 ATOM 10939 HW2 SOL 3122 -0.340 0.590 51.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10944 ATOM 10940 OW SOL 3123 7.870 59.500 37.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10945 ATOM 10941 HW1 SOL 3123 8.490 60.010 36.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10946 ATOM 10942 HW2 SOL 3123 6.970 59.430 37.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10947 ATOM 10943 OW SOL 3124 17.960 61.540 54.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10948 ATOM 10944 HW1 SOL 3124 17.710 62.460 53.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10949 ATOM 10945 HW2 SOL 3124 17.340 60.880 53.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10950 ATOM 10946 OW SOL 3125 13.690 67.100 44.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10951 ATOM 10947 HW1 SOL 3125 14.390 66.470 44.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10952 ATOM 10948 HW2 SOL 3125 13.020 67.290 43.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10953 ATOM 10949 OW SOL 3126 4.240 56.360 43.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10954 ATOM 10950 HW1 SOL 3126 4.550 56.130 43.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10955 ATOM 10951 HW2 SOL 3126 3.590 57.110 43.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10956 ATOM 10952 OW SOL 3127 9.540 69.780 43.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10957 ATOM 10953 HW1 SOL 3127 10.480 69.780 42.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10958 ATOM 10954 HW2 SOL 3127 9.130 70.680 42.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10959 ATOM 10955 OW SOL 3128 3.300 71.180 46.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10960 ATOM 10956 HW1 SOL 3128 3.620 70.390 46.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10961 ATOM 10957 HW2 SOL 3128 3.660 72.020 46.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10962 ATOM 10958 OW SOL 3129 16.990 66.690 45.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10963 ATOM 10959 HW1 SOL 3129 16.300 66.030 45.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10964 ATOM 10960 HW2 SOL 3129 16.750 67.070 46.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10965 ATOM 10961 OW SOL 3130 9.540 72.370 51.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10966 ATOM 10962 HW1 SOL 3130 10.090 72.280 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10967 ATOM 10963 HW2 SOL 3130 9.280 73.330 51.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10968 ATOM 10964 OW SOL 3131 3.530 64.150 39.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10969 ATOM 10965 HW1 SOL 3131 3.460 65.100 40.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10970 ATOM 10966 HW2 SOL 3131 3.220 63.550 40.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10971 ATOM 10967 OW SOL 3132 13.670 63.710 44.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10972 ATOM 10968 HW1 SOL 3132 13.640 63.300 45.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10973 ATOM 10969 HW2 SOL 3132 14.300 64.490 44.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10974 ATOM 10970 OW SOL 3133 6.310 69.950 53.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10975 ATOM 10971 HW1 SOL 3133 5.820 69.680 52.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10976 ATOM 10972 HW2 SOL 3133 5.740 70.600 53.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10977 ATOM 10973 OW SOL 3134 2.280 57.410 51.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10978 ATOM 10974 HW1 SOL 3134 1.900 57.560 50.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10979 ATOM 10975 HW2 SOL 3134 2.190 56.450 51.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10980 ATOM 10976 OW SOL 3135 17.700 71.900 40.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10981 ATOM 10977 HW1 SOL 3135 16.810 71.840 40.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10982 ATOM 10978 HW2 SOL 3135 17.770 72.780 39.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10983 ATOM 10979 OW SOL 3136 12.870 57.080 41.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10984 ATOM 10980 HW1 SOL 3136 13.250 56.670 40.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10985 ATOM 10981 HW2 SOL 3136 13.420 56.810 42.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10986 ATOM 10982 OW SOL 3137 2.870 62.290 41.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10987 ATOM 10983 HW1 SOL 3137 2.740 62.050 42.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10988 ATOM 10984 HW2 SOL 3137 2.000 62.550 41.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10989 ATOM 10985 OW SOL 3138 14.830 57.420 51.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10990 ATOM 10986 HW1 SOL 3138 15.450 57.500 52.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10991 ATOM 10987 HW2 SOL 3138 14.060 56.840 52.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10992 ATOM 10988 OW SOL 3139 6.850 55.410 35.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10993 ATOM 10989 HW1 SOL 3139 7.320 54.750 35.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10994 ATOM 10990 HW2 SOL 3139 6.270 56.010 35.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10995 ATOM 10991 OW SOL 3140 8.030 55.310 54.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10996 ATOM 10992 HW1 SOL 3140 8.970 55.640 54.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10997 ATOM 10993 HW2 SOL 3140 7.670 55.330 55.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10998 ATOM 10994 OW SOL 3141 7.620 70.400 47.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
10999 ATOM 10995 HW1 SOL 3141 7.060 69.690 46.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11000 ATOM 10996 HW2 SOL 3141 8.510 70.010 47.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11001 ATOM 10997 OW SOL 3142 13.950 61.180 48.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11002 ATOM 10998 HW1 SOL 3142 14.880 61.280 49.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11003 ATOM 10999 HW2 SOL 3142 13.930 61.360 47.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11004 ATOM 11000 OW SOL 3143 6.360 67.670 45.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11005 ATOM 11001 HW1 SOL 3143 6.940 66.990 46.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11006 ATOM 11002 HW2 SOL 3143 6.830 68.030 45.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11007 ATOM 11003 OW SOL 3144 10.760 59.680 43.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11008 ATOM 11004 HW1 SOL 3144 9.900 59.710 44.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11009 ATOM 11005 HW2 SOL 3144 10.940 58.740 43.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11010 ATOM 11006 OW SOL 3145 4.840 56.820 41.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11011 ATOM 11007 HW1 SOL 3145 4.230 56.390 40.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11012 ATOM 11008 HW2 SOL 3145 4.620 57.800 41.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11013 ATOM 11009 OW SOL 3146 15.120 70.850 38.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11014 ATOM 11010 HW1 SOL 3146 15.440 69.950 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11015 ATOM 11011 HW2 SOL 3146 14.400 71.160 39.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11016 ATOM 11012 OW SOL 3147 3.270 55.620 39.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11017 ATOM 11013 HW1 SOL 3147 2.290 55.420 39.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11018 ATOM 11014 HW2 SOL 3147 3.790 54.790 39.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11019 ATOM 11015 OW SOL 3148 8.740 59.340 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11020 ATOM 11016 HW1 SOL 3148 8.340 59.480 39.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11021 ATOM 11017 HW2 SOL 3148 9.730 59.450 40.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11022 ATOM 11018 OW SOL 3149 12.400 61.880 51.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11023 ATOM 11019 HW1 SOL 3149 12.790 61.410 52.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11024 ATOM 11020 HW2 SOL 3149 12.770 61.480 50.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11025 ATOM 11021 OW SOL 3150 11.230 0.230 44.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11026 ATOM 11022 HW1 SOL 3150 11.630 0.940 44.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11027 ATOM 11023 HW2 SOL 3150 11.810 0.080 45.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11028 ATOM 11024 OW SOL 3151 4.890 66.130 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11029 ATOM 11025 HW1 SOL 3151 5.040 67.070 42.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11030 ATOM 11026 HW2 SOL 3151 4.080 66.090 41.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11031 ATOM 11027 OW SOL 3152 10.430 60.550 36.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11032 ATOM 11028 HW1 SOL 3152 9.760 61.230 36.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11033 ATOM 11029 HW2 SOL 3152 10.880 60.890 37.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11034 ATOM 11030 OW SOL 3153 2.640 62.300 50.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11035 ATOM 11031 HW1 SOL 3153 3.150 61.890 49.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11036 ATOM 11032 HW2 SOL 3153 3.140 62.160 51.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11037 ATOM 11033 OW SOL 3154 5.940 57.110 45.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11038 ATOM 11034 HW1 SOL 3154 5.550 56.990 46.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11039 ATOM 11035 HW2 SOL 3154 5.240 56.900 44.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11040 ATOM 11036 OW SOL 3155 7.820 59.850 42.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11041 ATOM 11037 HW1 SOL 3155 7.080 60.280 42.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11042 ATOM 11038 HW2 SOL 3155 8.470 59.440 42.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11043 ATOM 11039 OW SOL 3156 9.990 57.010 42.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11044 ATOM 11040 HW1 SOL 3156 10.820 57.090 42.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11045 ATOM 11041 HW2 SOL 3156 9.190 56.940 41.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11046 ATOM 11042 OW SOL 3157 13.640 66.850 47.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11047 ATOM 11043 HW1 SOL 3157 13.460 66.960 48.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11048 ATOM 11044 HW2 SOL 3157 13.430 65.910 47.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11049 ATOM 11045 OW SOL 3158 14.240 61.310 45.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11050 ATOM 11046 HW1 SOL 3158 13.900 60.370 45.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11051 ATOM 11047 HW2 SOL 3158 15.160 61.320 46.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11052 ATOM 11048 OW SOL 3159 19.420 63.600 40.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11053 ATOM 11049 HW1 SOL 3159 18.740 63.400 41.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11054 ATOM 11050 HW2 SOL 3159 18.960 63.680 40.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11055 ATOM 11051 OW SOL 3160 5.310 69.160 39.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11056 ATOM 11052 HW1 SOL 3160 4.900 68.550 40.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11057 ATOM 11053 HW2 SOL 3160 5.580 68.630 38.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11058 ATOM 11054 OW SOL 3161 16.390 69.540 43.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11059 ATOM 11055 HW1 SOL 3161 16.330 69.690 44.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11060 ATOM 11056 HW2 SOL 3161 15.980 70.310 42.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11061 ATOM 11057 OW SOL 3162 13.810 61.710 37.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11062 ATOM 11058 HW1 SOL 3162 12.970 61.590 37.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11063 ATOM 11059 HW2 SOL 3162 14.590 61.450 37.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11064 ATOM 11060 OW SOL 3163 5.020 58.060 38.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11065 ATOM 11061 HW1 SOL 3163 5.530 57.240 38.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11066 ATOM 11062 HW2 SOL 3163 4.050 57.820 38.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11067 ATOM 11063 OW SOL 3164 14.880 68.290 52.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11068 ATOM 11064 HW1 SOL 3164 15.600 67.620 52.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11069 ATOM 11065 HW2 SOL 3164 14.470 68.560 52.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11070 ATOM 11066 OW SOL 3165 9.970 70.080 48.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11071 ATOM 11067 HW1 SOL 3165 9.520 70.910 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11072 ATOM 11068 HW2 SOL 3165 10.820 70.320 48.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11073 ATOM 11069 OW SOL 3166 17.770 2.570 53.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11074 ATOM 11070 HW1 SOL 3166 18.020 3.350 53.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11075 ATOM 11071 HW2 SOL 3166 17.010 2.830 52.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11076 ATOM 11072 OW SOL 3167 9.150 67.560 49.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11077 ATOM 11073 HW1 SOL 3167 8.770 67.490 50.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11078 ATOM 11074 HW2 SOL 3167 9.480 68.490 49.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11079 ATOM 11075 OW SOL 3168 15.950 68.100 47.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11080 ATOM 11076 HW1 SOL 3168 15.940 69.040 48.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11081 ATOM 11077 HW2 SOL 3168 15.040 67.860 47.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11082 ATOM 11078 OW SOL 3169 9.510 55.050 49.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11083 ATOM 11079 HW1 SOL 3169 9.310 54.830 48.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11084 ATOM 11080 HW2 SOL 3169 10.340 55.610 49.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11085 ATOM 11081 OW SOL 3170 9.010 63.570 54.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11086 ATOM 11082 HW1 SOL 3170 9.200 64.170 54.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11087 ATOM 11083 HW2 SOL 3170 8.250 63.940 53.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11088 ATOM 11084 OW SOL 3171 7.000 66.010 40.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11089 ATOM 11085 HW1 SOL 3171 6.320 65.820 41.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11090 ATOM 11086 HW2 SOL 3171 7.800 65.410 40.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11091 ATOM 11087 OW SOL 3172 6.290 62.590 47.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11092 ATOM 11088 HW1 SOL 3172 6.830 62.940 48.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11093 ATOM 11089 HW2 SOL 3172 6.250 61.600 47.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11094 ATOM 11090 OW SOL 3173 13.160 58.430 48.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11095 ATOM 11091 HW1 SOL 3173 13.570 59.340 48.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11096 ATOM 11092 HW2 SOL 3173 12.310 58.510 48.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11097 ATOM 11093 OW SOL 3174 72.300 70.340 49.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11098 ATOM 11094 HW1 SOL 3174 71.830 70.960 49.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11099 ATOM 11095 HW2 SOL 3174 73.240 70.200 49.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11100 ATOM 11096 OW SOL 3175 2.740 66.500 40.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11101 ATOM 11097 HW1 SOL 3175 2.940 67.460 41.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11102 ATOM 11098 HW2 SOL 3175 1.800 66.420 40.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11103 ATOM 11099 OW SOL 3176 4.530 59.150 43.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11104 ATOM 11100 HW1 SOL 3176 4.130 59.570 43.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11105 ATOM 11101 HW2 SOL 3176 5.500 58.990 43.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11106 ATOM 11102 OW SOL 3177 12.420 68.580 42.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11107 ATOM 11103 HW1 SOL 3177 12.370 69.530 42.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11108 ATOM 11104 HW2 SOL 3177 12.980 68.510 41.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11109 ATOM 11105 OW SOL 3178 12.560 70.630 48.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11110 ATOM 11106 HW1 SOL 3178 13.080 70.240 49.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11111 ATOM 11107 HW2 SOL 3178 12.690 70.070 47.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11112 ATOM 11108 OW SOL 3179 14.570 62.520 41.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11113 ATOM 11109 HW1 SOL 3179 13.850 62.090 41.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11114 ATOM 11110 HW2 SOL 3179 14.170 63.240 40.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11115 ATOM 11111 OW SOL 3180 3.560 71.270 49.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11116 ATOM 11112 HW1 SOL 3180 3.290 71.210 48.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11117 ATOM 11113 HW2 SOL 3180 4.550 71.150 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11118 ATOM 11114 OW SOL 3181 4.110 61.740 52.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11119 ATOM 11115 HW1 SOL 3181 5.020 62.130 52.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11120 ATOM 11116 HW2 SOL 3181 4.170 60.750 52.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11121 ATOM 11117 OW SOL 3182 17.170 63.900 52.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11122 ATOM 11118 HW1 SOL 3182 16.370 63.470 52.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11123 ATOM 11119 HW2 SOL 3182 17.040 64.890 53.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11124 ATOM 11120 OW SOL 3183 10.690 56.160 54.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11125 ATOM 11121 HW1 SOL 3183 11.000 57.030 54.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11126 ATOM 11122 HW2 SOL 3183 10.800 56.170 55.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11127 ATOM 11123 OW SOL 3184 4.640 54.770 55.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11128 ATOM 11124 HW1 SOL 3184 4.280 54.130 54.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11129 ATOM 11125 HW2 SOL 3184 4.000 55.530 55.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11130 ATOM 11126 OW SOL 3185 5.210 62.870 45.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11131 ATOM 11127 HW1 SOL 3185 4.720 63.740 45.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11132 ATOM 11128 HW2 SOL 3185 5.470 62.750 46.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11133 ATOM 11129 OW SOL 3186 10.890 64.920 44.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11134 ATOM 11130 HW1 SOL 3186 11.800 64.750 44.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11135 ATOM 11131 HW2 SOL 3186 10.260 64.210 44.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11136 ATOM 11132 OW SOL 3187 11.560 61.320 38.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11137 ATOM 11133 HW1 SOL 3187 11.790 60.950 39.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11138 ATOM 11134 HW2 SOL 3187 10.930 62.090 38.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11139 ATOM 11135 OW SOL 3188 3.350 55.810 47.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11140 ATOM 11136 HW1 SOL 3188 3.850 56.320 48.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11141 ATOM 11137 HW2 SOL 3188 3.840 54.970 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11142 ATOM 11138 OW SOL 3189 71.420 67.590 48.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11143 ATOM 11139 HW1 SOL 3189 72.240 67.020 48.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11144 ATOM 11140 HW2 SOL 3189 71.690 68.540 48.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11145 ATOM 11141 OW SOL 3190 7.600 61.090 45.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11146 ATOM 11142 HW1 SOL 3190 7.660 60.570 44.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11147 ATOM 11143 HW2 SOL 3190 6.950 61.840 45.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11148 ATOM 11144 OW SOL 3191 17.120 66.030 55.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11149 ATOM 11145 HW1 SOL 3191 16.910 65.530 56.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11150 ATOM 11146 HW2 SOL 3191 16.660 66.910 55.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11151 ATOM 11147 OW SOL 3192 0.670 55.560 40.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11152 ATOM 11148 HW1 SOL 3192 0.560 56.300 41.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11153 ATOM 11149 HW2 SOL 3192 1.040 54.760 41.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11154 ATOM 11150 OW SOL 3193 16.260 61.950 39.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11155 ATOM 11151 HW1 SOL 3193 16.970 61.410 39.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11156 ATOM 11152 HW2 SOL 3193 15.530 62.160 39.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11157 ATOM 11153 OW SOL 3194 9.720 62.600 45.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11158 ATOM 11154 HW1 SOL 3194 10.070 61.950 46.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11159 ATOM 11155 HW2 SOL 3194 8.910 62.210 45.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11160 ATOM 11156 OW SOL 3195 11.130 70.810 57.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11161 ATOM 11157 HW1 SOL 3195 10.260 70.400 57.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11162 ATOM 11158 HW2 SOL 3195 11.720 70.120 56.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11163 ATOM 11159 OW SOL 3196 18.150 71.120 51.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11164 ATOM 11160 HW1 SOL 3196 18.930 71.500 51.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11165 ATOM 11161 HW2 SOL 3196 18.240 70.130 52.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11166 ATOM 11162 OW SOL 3197 2.630 65.480 53.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11167 ATOM 11163 HW1 SOL 3197 3.040 65.700 54.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11168 ATOM 11164 HW2 SOL 3197 2.130 64.620 53.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11169 ATOM 11165 OW SOL 3198 15.340 59.040 37.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11170 ATOM 11166 HW1 SOL 3198 15.620 58.840 38.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11171 ATOM 11167 HW2 SOL 3198 14.350 58.950 37.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11172 ATOM 11168 OW SOL 3199 12.870 64.360 37.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11173 ATOM 11169 HW1 SOL 3199 13.350 63.490 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11174 ATOM 11170 HW2 SOL 3199 13.120 64.740 38.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11175 ATOM 11171 OW SOL 3200 10.250 69.510 45.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11176 ATOM 11172 HW1 SOL 3200 9.710 68.710 45.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11177 ATOM 11173 HW2 SOL 3200 10.090 69.760 44.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11178 ATOM 11174 OW SOL 3201 2.800 61.640 44.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11179 ATOM 11175 HW1 SOL 3201 3.710 61.990 44.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11180 ATOM 11176 HW2 SOL 3201 2.670 60.750 44.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11181 ATOM 11177 OW SOL 3202 3.530 59.110 46.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11182 ATOM 11178 HW1 SOL 3202 2.840 58.390 46.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11183 ATOM 11179 HW2 SOL 3202 4.140 58.930 45.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11184 ATOM 11180 OW SOL 3203 11.730 58.400 53.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11185 ATOM 11181 HW1 SOL 3203 10.930 58.810 54.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11186 ATOM 11182 HW2 SOL 3203 12.490 59.050 53.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11187 ATOM 11183 OW SOL 3204 11.490 56.800 50.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11188 ATOM 11184 HW1 SOL 3204 12.060 56.710 51.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11189 ATOM 11185 HW2 SOL 3204 11.790 57.600 49.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11190 ATOM 11186 OW SOL 3205 0.480 66.990 36.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11191 ATOM 11187 HW1 SOL 3205 -0.100 66.510 37.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11192 ATOM 11188 HW2 SOL 3205 1.440 66.850 36.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11193 ATOM 11189 OW SOL 3206 0.730 72.200 46.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11194 ATOM 11190 HW1 SOL 3206 -0.060 71.830 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11195 ATOM 11191 HW2 SOL 3206 1.520 71.600 46.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11196 ATOM 11192 OW SOL 3207 5.210 68.990 43.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11197 ATOM 11193 HW1 SOL 3207 5.090 69.970 42.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11198 ATOM 11194 HW2 SOL 3207 6.190 68.780 43.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11199 ATOM 11195 OW SOL 3208 9.640 60.910 48.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11200 ATOM 11196 HW1 SOL 3208 10.130 61.620 48.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11201 ATOM 11197 HW2 SOL 3208 8.970 60.470 48.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11202 ATOM 11198 OW SOL 3209 72.160 60.370 47.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11203 ATOM 11199 HW1 SOL 3209 72.890 59.720 48.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11204 ATOM 11200 HW2 SOL 3209 72.260 61.200 48.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11205 ATOM 11201 OW SOL 3210 4.730 58.310 50.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11206 ATOM 11202 HW1 SOL 3210 3.980 57.920 51.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11207 ATOM 11203 HW2 SOL 3210 5.420 58.700 51.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11208 ATOM 11204 OW SOL 3211 14.570 63.490 51.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11209 ATOM 11205 HW1 SOL 3211 14.450 64.080 51.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11210 ATOM 11206 HW2 SOL 3211 13.820 62.830 52.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11211 ATOM 11207 OW SOL 3212 7.140 62.460 38.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11212 ATOM 11208 HW1 SOL 3212 7.030 61.470 38.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11213 ATOM 11209 HW2 SOL 3212 6.250 62.900 38.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11214 ATOM 11210 OW SOL 3213 16.780 61.410 47.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11215 ATOM 11211 HW1 SOL 3213 17.550 60.780 47.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11216 ATOM 11212 HW2 SOL 3213 17.120 62.350 47.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11217 ATOM 11213 OW SOL 3214 5.150 71.840 56.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11218 ATOM 11214 HW1 SOL 3214 5.080 71.720 57.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11219 ATOM 11215 HW2 SOL 3214 4.550 71.190 56.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11220 ATOM 11216 OW SOL 3215 6.450 60.030 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11221 ATOM 11217 HW1 SOL 3215 5.600 59.830 46.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11222 ATOM 11218 HW2 SOL 3215 7.120 60.420 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11223 ATOM 11219 OW SOL 3216 4.870 60.580 38.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11224 ATOM 11220 HW1 SOL 3216 4.430 61.180 38.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11225 ATOM 11221 HW2 SOL 3216 4.890 59.640 38.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11226 ATOM 11222 OW SOL 3217 1.690 69.840 51.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11227 ATOM 11223 HW1 SOL 3217 2.040 69.160 51.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11228 ATOM 11224 HW2 SOL 3217 2.450 70.250 50.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11229 ATOM 11225 OW SOL 3218 10.870 65.660 48.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11230 ATOM 11226 HW1 SOL 3218 11.210 66.400 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11231 ATOM 11227 HW2 SOL 3218 10.130 65.990 48.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11232 ATOM 11228 OW SOL 3219 13.390 64.880 40.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11233 ATOM 11229 HW1 SOL 3219 12.540 65.360 40.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11234 ATOM 11230 HW2 SOL 3219 14.030 65.030 41.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11235 ATOM 11231 OW SOL 3220 19.620 70.610 46.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11236 ATOM 11232 HW1 SOL 3220 20.460 70.260 46.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11237 ATOM 11233 HW2 SOL 3220 18.910 70.710 46.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11238 ATOM 11234 OW SOL 3221 12.550 0.530 47.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11239 ATOM 11235 HW1 SOL 3221 13.490 0.600 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11240 ATOM 11236 HW2 SOL 3221 12.460 -0.280 47.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11241 ATOM 11237 OW SOL 3222 1.930 66.510 48.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11242 ATOM 11238 HW1 SOL 3222 2.890 66.570 48.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11243 ATOM 11239 HW2 SOL 3222 1.850 66.560 47.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11244 ATOM 11240 OW SOL 3223 18.060 60.280 40.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11245 ATOM 11241 HW1 SOL 3223 18.870 59.900 39.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11246 ATOM 11242 HW2 SOL 3223 17.340 59.590 40.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11247 ATOM 11243 OW SOL 3224 12.140 71.110 42.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11248 ATOM 11244 HW1 SOL 3224 11.650 71.730 43.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11249 ATOM 11245 HW2 SOL 3224 12.160 71.490 41.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11250 ATOM 11246 OW SOL 3225 0.300 71.880 56.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11251 ATOM 11247 HW1 SOL 3225 0.180 70.960 55.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11252 ATOM 11248 HW2 SOL 3225 -0.200 72.530 55.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11253 ATOM 11249 OW SOL 3226 11.390 66.090 41.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11254 ATOM 11250 HW1 SOL 3226 11.370 65.600 42.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11255 ATOM 11251 HW2 SOL 3226 11.740 67.020 42.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11256 ATOM 11252 OW SOL 3227 7.760 67.480 51.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11257 ATOM 11253 HW1 SOL 3227 8.360 67.880 52.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11258 ATOM 11254 HW2 SOL 3227 7.500 66.560 52.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11259 ATOM 11255 OW SOL 3228 5.510 69.480 36.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11260 ATOM 11256 HW1 SOL 3228 5.400 68.630 36.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11261 ATOM 11257 HW2 SOL 3228 6.350 69.940 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11262 ATOM 11258 OW SOL 3229 17.790 54.180 45.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11263 ATOM 11259 HW1 SOL 3229 18.390 54.730 46.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11264 ATOM 11260 HW2 SOL 3229 17.880 53.210 45.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11265 ATOM 11261 OW SOL 3230 0.550 57.490 42.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11266 ATOM 11262 HW1 SOL 3230 0.120 58.390 42.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11267 ATOM 11263 HW2 SOL 3230 1.340 57.540 43.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11268 ATOM 11264 OW SOL 3231 11.550 72.010 40.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11269 ATOM 11265 HW1 SOL 3231 11.830 71.070 39.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11270 ATOM 11266 HW2 SOL 3231 10.610 72.140 39.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11271 ATOM 11267 OW SOL 3232 7.130 64.610 52.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11272 ATOM 11268 HW1 SOL 3232 7.010 63.660 51.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11273 ATOM 11269 HW2 SOL 3232 6.770 65.210 51.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11274 ATOM 11270 OW SOL 3233 10.540 65.380 37.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11275 ATOM 11271 HW1 SOL 3233 11.150 65.210 37.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11276 ATOM 11272 HW2 SOL 3233 10.560 64.590 38.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11277 ATOM 11273 OW SOL 3234 5.570 69.080 50.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11278 ATOM 11274 HW1 SOL 3234 6.400 68.680 51.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11279 ATOM 11275 HW2 SOL 3234 5.840 69.760 50.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11280 ATOM 11276 OW SOL 3235 16.380 70.730 48.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11281 ATOM 11277 HW1 SOL 3235 17.150 70.640 49.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11282 ATOM 11278 HW2 SOL 3235 15.560 70.980 49.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11283 ATOM 11279 OW SOL 3236 9.410 66.980 45.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11284 ATOM 11280 HW1 SOL 3236 8.970 66.550 46.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11285 ATOM 11281 HW2 SOL 3236 10.010 66.320 45.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11286 ATOM 11282 OW SOL 3237 9.110 57.520 45.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11287 ATOM 11283 HW1 SOL 3237 9.190 57.140 44.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11288 ATOM 11284 HW2 SOL 3237 8.160 57.450 45.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11289 ATOM 11285 OW SOL 3238 4.610 71.570 42.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11290 ATOM 11286 HW1 SOL 3238 5.240 72.290 42.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11291 ATOM 11287 HW2 SOL 3238 3.670 71.910 42.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11292 ATOM 11288 OW SOL 3239 16.560 61.200 49.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11293 ATOM 11289 HW1 SOL 3239 16.730 60.600 49.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11294 ATOM 11290 HW2 SOL 3239 17.270 61.910 50.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11295 ATOM 11291 OW SOL 3240 0.450 69.180 39.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11296 ATOM 11292 HW1 SOL 3240 -0.410 69.630 39.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11297 ATOM 11293 HW2 SOL 3240 1.220 69.790 39.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11298 ATOM 11294 OW SOL 3241 1.860 68.240 53.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11299 ATOM 11295 HW1 SOL 3241 0.880 68.450 53.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11300 ATOM 11296 HW2 SOL 3241 2.000 67.260 53.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11301 ATOM 11297 OW SOL 3242 8.100 57.340 50.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11302 ATOM 11298 HW1 SOL 3242 8.510 56.500 50.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11303 ATOM 11299 HW2 SOL 3242 8.170 57.370 51.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11304 ATOM 11300 OW SOL 3243 0.530 55.500 37.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11305 ATOM 11301 HW1 SOL 3243 0.020 55.290 38.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11306 ATOM 11302 HW2 SOL 3243 0.130 56.300 37.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11307 ATOM 11303 OW SOL 3244 13.210 63.950 47.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11308 ATOM 11304 HW1 SOL 3244 12.320 63.530 47.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11309 ATOM 11305 HW2 SOL 3244 13.570 64.340 48.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11310 ATOM 11306 OW SOL 3245 1.190 58.200 39.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11311 ATOM 11307 HW1 SOL 3245 1.680 58.300 38.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11312 ATOM 11308 HW2 SOL 3245 1.250 57.250 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11313 ATOM 11309 OW SOL 3246 12.260 69.610 39.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11314 ATOM 11310 HW1 SOL 3246 11.360 69.200 38.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11315 ATOM 11311 HW2 SOL 3246 12.970 68.930 38.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11316 ATOM 11312 OW SOL 3247 7.230 62.040 51.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11317 ATOM 11313 HW1 SOL 3247 8.150 61.760 51.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11318 ATOM 11314 HW2 SOL 3247 6.930 61.500 50.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11319 ATOM 11315 OW SOL 3248 15.040 1.270 46.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11320 ATOM 11316 HW1 SOL 3248 14.930 2.160 45.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11321 ATOM 11317 HW2 SOL 3248 14.890 0.550 45.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11322 ATOM 11318 OW SOL 3249 4.920 59.550 53.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11323 ATOM 11319 HW1 SOL 3249 5.430 58.950 54.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11324 ATOM 11320 HW2 SOL 3249 4.150 59.960 54.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11325 ATOM 11321 OW SOL 3250 13.070 67.480 50.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11326 ATOM 11322 HW1 SOL 3250 12.310 67.430 50.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11327 ATOM 11323 HW2 SOL 3250 13.880 67.840 50.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11328 ATOM 11324 OW SOL 3251 16.550 65.780 49.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11329 ATOM 11325 HW1 SOL 3251 16.990 65.030 48.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11330 ATOM 11326 HW2 SOL 3251 16.430 66.560 48.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11331 ATOM 11327 OW SOL 3252 11.960 59.660 41.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11332 ATOM 11328 HW1 SOL 3252 12.320 58.730 41.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11333 ATOM 11329 HW2 SOL 3252 12.390 60.210 41.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11334 ATOM 11330 OW SOL 3253 5.580 61.130 41.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11335 ATOM 11331 HW1 SOL 3253 4.930 61.760 42.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11336 ATOM 11332 HW2 SOL 3253 5.380 61.070 40.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11337 ATOM 11333 OW SOL 3254 16.480 60.090 52.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11338 ATOM 11334 HW1 SOL 3254 16.360 60.380 51.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11339 ATOM 11335 HW2 SOL 3254 17.230 59.430 52.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11340 ATOM 11336 OW SOL 3255 17.350 66.510 52.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11341 ATOM 11337 HW1 SOL 3255 17.880 67.320 52.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11342 ATOM 11338 HW2 SOL 3255 17.270 66.460 51.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11343 ATOM 11339 OW SOL 3256 7.830 69.980 37.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11344 ATOM 11340 HW1 SOL 3256 7.670 69.750 38.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11345 ATOM 11341 HW2 SOL 3256 8.610 70.600 37.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11346 ATOM 11342 OW SOL 3257 7.870 65.210 46.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11347 ATOM 11343 HW1 SOL 3257 8.300 64.310 46.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11348 ATOM 11344 HW2 SOL 3257 7.260 65.380 47.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11349 ATOM 11345 OW SOL 3258 10.280 68.050 37.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11350 ATOM 11346 HW1 SOL 3258 9.430 68.290 38.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11351 ATOM 11347 HW2 SOL 3258 10.440 67.070 37.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11352 ATOM 11348 OW SOL 3259 18.000 0.290 43.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11353 ATOM 11349 HW1 SOL 3259 17.270 0.720 42.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11354 ATOM 11350 HW2 SOL 3259 17.610 -0.420 43.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11355 ATOM 11351 OW SOL 3260 3.320 69.940 55.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11356 ATOM 11352 HW1 SOL 3260 2.870 69.340 54.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11357 ATOM 11353 HW2 SOL 3260 2.800 69.960 56.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11358 ATOM 11354 OW SOL 3261 2.890 69.030 41.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11359 ATOM 11355 HW1 SOL 3261 2.810 69.860 41.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11360 ATOM 11356 HW2 SOL 3261 3.760 69.040 42.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11361 ATOM 11357 OW SOL 3262 8.730 68.860 54.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11362 ATOM 11358 HW1 SOL 3262 7.850 69.310 53.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11363 ATOM 11359 HW2 SOL 3262 8.860 68.620 55.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11364 ATOM 11360 OW SOL 3263 16.620 57.640 46.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11365 ATOM 11361 HW1 SOL 3263 16.270 57.600 47.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11366 ATOM 11362 HW2 SOL 3263 16.090 57.020 46.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11367 ATOM 11363 OW SOL 3264 3.360 59.230 41.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11368 ATOM 11364 HW1 SOL 3264 3.700 59.900 40.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11369 ATOM 11365 HW2 SOL 3264 2.380 59.110 41.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11370 ATOM 11366 OW SOL 3265 16.730 71.220 45.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11371 ATOM 11367 HW1 SOL 3265 15.850 71.390 45.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11372 ATOM 11368 HW2 SOL 3265 16.580 70.890 46.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11373 ATOM 11369 OW SOL 3266 4.020 60.310 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11374 ATOM 11370 HW1 SOL 3266 4.070 59.570 49.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11375 ATOM 11371 HW2 SOL 3266 3.690 59.960 47.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11376 ATOM 11372 OW SOL 3267 8.440 72.140 42.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11377 ATOM 11373 HW1 SOL 3267 7.720 72.660 42.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11378 ATOM 11374 HW2 SOL 3267 8.670 72.590 43.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11379 ATOM 11375 OW SOL 3268 13.900 56.930 44.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11380 ATOM 11376 HW1 SOL 3268 14.370 56.230 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11381 ATOM 11377 HW2 SOL 3268 13.470 57.590 44.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11382 ATOM 11378 OW SOL 3269 9.540 54.240 47.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11383 ATOM 11379 HW1 SOL 3269 9.000 54.040 46.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11384 ATOM 11380 HW2 SOL 3269 10.510 54.150 47.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11385 ATOM 11381 OW SOL 3270 8.470 68.270 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11386 ATOM 11382 HW1 SOL 3270 7.920 67.480 40.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11387 ATOM 11383 HW2 SOL 3270 9.000 68.580 40.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11388 ATOM 11384 OW SOL 3271 6.200 71.220 49.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11389 ATOM 11385 HW1 SOL 3271 6.440 72.130 49.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11390 ATOM 11386 HW2 SOL 3271 6.760 71.010 48.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11391 ATOM 11387 OW SOL 3272 14.370 55.820 39.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11392 ATOM 11388 HW1 SOL 3272 15.180 55.450 39.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11393 ATOM 11389 HW2 SOL 3272 13.550 55.500 39.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11394 ATOM 11390 OW SOL 3273 12.670 61.680 42.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11395 ATOM 11391 HW1 SOL 3273 11.950 61.130 43.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11396 ATOM 11392 HW2 SOL 3273 12.800 62.520 43.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11397 ATOM 11393 OW SOL 3274 15.590 58.490 42.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11398 ATOM 11394 HW1 SOL 3274 14.820 58.010 43.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11399 ATOM 11395 HW2 SOL 3274 15.640 59.420 43.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11400 ATOM 11396 OW SOL 3275 3.210 65.810 37.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11401 ATOM 11397 HW1 SOL 3275 2.900 65.270 38.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11402 ATOM 11398 HW2 SOL 3275 3.400 65.200 36.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11403 ATOM 11399 OW SOL 3276 0.820 59.090 53.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11404 ATOM 11400 HW1 SOL 3276 -0.130 58.820 53.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11405 ATOM 11401 HW2 SOL 3276 1.220 58.540 52.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11406 ATOM 11402 OW SOL 3277 2.560 58.210 64.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11407 ATOM 11403 HW1 SOL 3277 3.100 57.430 65.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11408 ATOM 11404 HW2 SOL 3277 1.620 57.930 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11409 ATOM 11405 OW SOL 3278 0.970 61.360 61.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11410 ATOM 11406 HW1 SOL 3278 1.060 61.620 62.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11411 ATOM 11407 HW2 SOL 3278 1.110 62.170 61.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11412 ATOM 11408 OW SOL 3279 5.150 69.360 68.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11413 ATOM 11409 HW1 SOL 3279 5.150 69.770 67.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11414 ATOM 11410 HW2 SOL 3279 6.090 69.250 68.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11415 ATOM 11411 OW SOL 3280 17.140 71.850 60.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11416 ATOM 11412 HW1 SOL 3280 16.910 71.010 61.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11417 ATOM 11413 HW2 SOL 3280 16.720 71.820 59.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11418 ATOM 11414 OW SOL 3281 11.220 62.180 60.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11419 ATOM 11415 HW1 SOL 3281 11.060 62.410 61.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11420 ATOM 11416 HW2 SOL 3281 11.420 61.200 60.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11421 ATOM 11417 OW SOL 3282 18.320 63.130 58.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11422 ATOM 11418 HW1 SOL 3282 17.390 63.130 57.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11423 ATOM 11419 HW2 SOL 3282 18.970 62.840 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11424 ATOM 11420 OW SOL 3283 6.670 68.620 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11425 ATOM 11421 HW1 SOL 3283 5.860 68.230 65.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11426 ATOM 11422 HW2 SOL 3283 6.690 69.610 65.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11427 ATOM 11423 OW SOL 3284 6.570 62.190 0.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11428 ATOM 11424 HW1 SOL 3284 7.460 61.900 0.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11429 ATOM 11425 HW2 SOL 3284 5.980 62.460 1.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11430 ATOM 11426 OW SOL 3285 6.610 64.480 61.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11431 ATOM 11427 HW1 SOL 3285 7.300 64.210 62.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11432 ATOM 11428 HW2 SOL 3285 6.200 65.350 61.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11433 ATOM 11429 OW SOL 3286 4.380 70.990 65.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11434 ATOM 11430 HW1 SOL 3286 3.480 71.180 66.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11435 ATOM 11431 HW2 SOL 3286 4.260 70.630 64.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11436 ATOM 11432 OW SOL 3287 13.630 70.520 66.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11437 ATOM 11433 HW1 SOL 3287 12.970 71.160 65.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11438 ATOM 11434 HW2 SOL 3287 13.920 70.850 67.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11439 ATOM 11435 OW SOL 3288 4.500 59.960 69.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11440 ATOM 11436 HW1 SOL 3288 3.570 59.590 69.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11441 ATOM 11437 HW2 SOL 3288 4.680 60.610 70.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11442 ATOM 11438 OW SOL 3289 19.450 60.040 60.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11443 ATOM 11439 HW1 SOL 3289 19.220 60.790 60.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11444 ATOM 11440 HW2 SOL 3289 18.670 59.860 59.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11445 ATOM 11441 OW SOL 3290 2.300 72.160 58.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11446 ATOM 11442 HW1 SOL 3290 1.720 72.020 57.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11447 ATOM 11443 HW2 SOL 3290 1.730 72.390 59.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11448 ATOM 11444 OW SOL 3291 4.030 67.930 65.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11449 ATOM 11445 HW1 SOL 3291 3.690 67.000 65.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11450 ATOM 11446 HW2 SOL 3291 3.260 68.560 65.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11451 ATOM 11447 OW SOL 3292 5.550 62.920 56.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11452 ATOM 11448 HW1 SOL 3292 6.340 63.310 57.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11453 ATOM 11449 HW2 SOL 3292 5.490 61.940 57.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11454 ATOM 11450 OW SOL 3293 14.200 56.690 69.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11455 ATOM 11451 HW1 SOL 3293 13.660 57.310 69.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11456 ATOM 11452 HW2 SOL 3293 14.090 56.960 70.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11457 ATOM 11453 OW SOL 3294 2.890 63.750 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11458 ATOM 11454 HW1 SOL 3294 3.530 63.500 61.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11459 ATOM 11455 HW2 SOL 3294 3.290 64.470 60.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11460 ATOM 11456 OW SOL 3295 72.510 69.380 55.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11461 ATOM 11457 HW1 SOL 3295 71.870 68.640 56.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11462 ATOM 11458 HW2 SOL 3295 72.570 69.570 54.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11463 ATOM 11459 OW SOL 3296 16.350 67.230 60.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11464 ATOM 11460 HW1 SOL 3296 16.320 66.250 59.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11465 ATOM 11461 HW2 SOL 3296 17.240 67.600 59.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11466 ATOM 11462 OW SOL 3297 18.450 68.380 58.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11467 ATOM 11463 HW1 SOL 3297 19.020 67.740 58.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11468 ATOM 11464 HW2 SOL 3297 19.030 68.990 59.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11469 ATOM 11465 OW SOL 3298 3.710 63.810 70.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11470 ATOM 11466 HW1 SOL 3298 4.410 63.110 70.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11471 ATOM 11467 HW2 SOL 3298 3.340 64.110 69.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11472 ATOM 11468 OW SOL 3299 8.210 67.760 61.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11473 ATOM 11469 HW1 SOL 3299 7.770 66.890 62.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11474 ATOM 11470 HW2 SOL 3299 8.270 67.870 60.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11475 ATOM 11471 OW SOL 3300 10.290 68.430 70.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11476 ATOM 11472 HW1 SOL 3300 10.950 68.270 69.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11477 ATOM 11473 HW2 SOL 3300 10.680 68.150 71.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11478 ATOM 11474 OW SOL 3301 7.110 57.150 59.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11479 ATOM 11475 HW1 SOL 3301 7.060 56.700 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11480 ATOM 11476 HW2 SOL 3301 6.300 56.910 59.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11481 ATOM 11477 OW SOL 3302 1.440 65.860 68.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11482 ATOM 11478 HW1 SOL 3302 2.260 66.340 68.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11483 ATOM 11479 HW2 SOL 3302 0.680 66.040 68.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11484 ATOM 11480 OW SOL 3303 16.370 68.730 56.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11485 ATOM 11481 HW1 SOL 3303 16.050 69.490 55.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11486 ATOM 11482 HW2 SOL 3303 15.710 68.560 56.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11487 ATOM 11483 OW SOL 3304 3.690 58.020 0.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11488 ATOM 11484 HW1 SOL 3304 3.740 59.000 -0.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11489 ATOM 11485 HW2 SOL 3304 2.800 57.670 -0.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11490 ATOM 11486 OW SOL 3305 16.310 69.600 61.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11491 ATOM 11487 HW1 SOL 3305 15.610 68.920 61.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11492 ATOM 11488 HW2 SOL 3305 17.050 69.160 62.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11493 ATOM 11489 OW SOL 3306 7.910 58.570 53.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11494 ATOM 11490 HW1 SOL 3306 7.700 59.400 52.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11495 ATOM 11491 HW2 SOL 3306 8.660 58.750 53.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11496 ATOM 11492 OW SOL 3307 12.940 60.910 65.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11497 ATOM 11493 HW1 SOL 3307 11.970 60.680 65.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11498 ATOM 11494 HW2 SOL 3307 13.440 60.660 66.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11499 ATOM 11495 OW SOL 3308 15.820 71.190 54.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11500 ATOM 11496 HW1 SOL 3308 15.720 72.120 54.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11501 ATOM 11497 HW2 SOL 3308 16.450 71.210 53.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11502 ATOM 11498 OW SOL 3309 8.770 61.270 69.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11503 ATOM 11499 HW1 SOL 3309 8.370 60.400 69.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11504 ATOM 11500 HW2 SOL 3309 8.560 61.410 68.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11505 ATOM 11501 OW SOL 3310 7.170 65.130 72.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11506 ATOM 11502 HW1 SOL 3310 7.550 64.290 71.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11507 ATOM 11503 HW2 SOL 3310 6.670 65.620 71.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11508 ATOM 11504 OW SOL 3311 10.520 60.280 66.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11509 ATOM 11505 HW1 SOL 3311 9.750 60.910 66.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11510 ATOM 11506 HW2 SOL 3311 10.200 59.340 66.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11511 ATOM 11507 OW SOL 3312 8.840 62.090 58.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11512 ATOM 11508 HW1 SOL 3312 9.530 62.220 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11513 ATOM 11509 HW2 SOL 3312 8.080 61.560 59.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11514 ATOM 11510 OW SOL 3313 0.960 65.970 63.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11515 ATOM 11511 HW1 SOL 3313 1.860 65.660 64.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11516 ATOM 11512 HW2 SOL 3313 0.590 66.620 64.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11517 ATOM 11513 OW SOL 3314 68.610 0.500 68.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11518 ATOM 11514 HW1 SOL 3314 67.820 0.600 68.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11519 ATOM 11515 HW2 SOL 3314 68.370 -0.080 67.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11520 ATOM 11516 OW SOL 3315 6.800 58.180 55.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11521 ATOM 11517 HW1 SOL 3315 7.060 58.360 54.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11522 ATOM 11518 HW2 SOL 3315 7.250 57.340 55.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11523 ATOM 11519 OW SOL 3316 10.970 64.330 59.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11524 ATOM 11520 HW1 SOL 3316 11.280 63.550 59.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11525 ATOM 11521 HW2 SOL 3316 11.390 64.280 58.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11526 ATOM 11522 OW SOL 3317 6.240 57.040 65.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11527 ATOM 11523 HW1 SOL 3317 7.190 56.780 65.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11528 ATOM 11524 HW2 SOL 3317 6.200 57.850 66.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11529 ATOM 11525 OW SOL 3318 13.530 0.100 57.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11530 ATOM 11526 HW1 SOL 3318 13.220 0.130 56.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11531 ATOM 11527 HW2 SOL 3318 12.880 -0.410 57.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11532 ATOM 11528 OW SOL 3319 6.850 0.260 61.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11533 ATOM 11529 HW1 SOL 3319 7.510 -0.470 61.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11534 ATOM 11530 HW2 SOL 3319 6.850 0.890 61.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11535 ATOM 11531 OW SOL 3320 18.880 64.600 62.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11536 ATOM 11532 HW1 SOL 3320 19.370 65.420 62.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11537 ATOM 11533 HW2 SOL 3320 18.090 64.860 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11538 ATOM 11534 OW SOL 3321 11.500 70.920 70.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11539 ATOM 11535 HW1 SOL 3321 10.970 70.180 70.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11540 ATOM 11536 HW2 SOL 3321 12.160 71.270 70.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11541 ATOM 11537 OW SOL 3322 3.630 65.070 56.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11542 ATOM 11538 HW1 SOL 3322 4.200 64.250 56.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11543 ATOM 11539 HW2 SOL 3322 3.480 65.440 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11544 ATOM 11540 OW SOL 3323 15.680 60.470 61.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11545 ATOM 11541 HW1 SOL 3323 15.180 60.400 62.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11546 ATOM 11542 HW2 SOL 3323 16.580 60.880 61.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11547 ATOM 11543 OW SOL 3324 5.560 66.470 70.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11548 ATOM 11544 HW1 SOL 3324 5.680 67.340 69.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11549 ATOM 11545 HW2 SOL 3324 4.750 66.000 69.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11550 ATOM 11546 OW SOL 3325 2.260 58.530 69.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11551 ATOM 11547 HW1 SOL 3325 1.540 59.220 69.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11552 ATOM 11548 HW2 SOL 3325 2.190 57.990 70.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11553 ATOM 11549 OW SOL 3326 12.190 72.270 51.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11554 ATOM 11550 HW1 SOL 3326 11.260 71.960 50.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11555 ATOM 11551 HW2 SOL 3326 12.450 72.980 50.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11556 ATOM 11552 OW SOL 3327 12.210 57.170 62.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11557 ATOM 11553 HW1 SOL 3327 12.790 56.880 62.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11558 ATOM 11554 HW2 SOL 3327 11.550 57.840 62.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11559 ATOM 11555 OW SOL 3328 4.070 61.470 59.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11560 ATOM 11556 HW1 SOL 3328 4.940 61.550 59.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11561 ATOM 11557 HW2 SOL 3328 3.460 62.200 59.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11562 ATOM 11558 OW SOL 3329 7.090 55.330 56.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11563 ATOM 11559 HW1 SOL 3329 7.510 54.650 57.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11564 ATOM 11560 HW2 SOL 3329 6.260 54.950 56.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11565 ATOM 11561 OW SOL 3330 6.640 57.090 72.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11566 ATOM 11562 HW1 SOL 3330 6.800 56.360 72.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11567 ATOM 11563 HW2 SOL 3330 5.930 57.710 72.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11568 ATOM 11564 OW SOL 3331 10.950 69.710 65.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11569 ATOM 11565 HW1 SOL 3331 10.450 68.950 64.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11570 ATOM 11566 HW2 SOL 3331 11.900 69.430 65.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11571 ATOM 11567 OW SOL 3332 11.760 61.320 71.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11572 ATOM 11568 HW1 SOL 3332 12.420 61.200 72.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11573 ATOM 11569 HW2 SOL 3332 11.680 62.290 71.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11574 ATOM 11570 OW SOL 3333 9.940 67.690 63.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11575 ATOM 11571 HW1 SOL 3333 10.630 67.370 63.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11576 ATOM 11572 HW2 SOL 3333 9.110 67.940 63.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11577 ATOM 11573 OW SOL 3334 10.030 59.800 62.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11578 ATOM 11574 HW1 SOL 3334 9.620 59.470 61.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11579 ATOM 11575 HW2 SOL 3334 9.400 59.640 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11580 ATOM 11576 OW SOL 3335 5.260 56.520 61.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11581 ATOM 11577 HW1 SOL 3335 5.370 55.570 61.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11582 ATOM 11578 HW2 SOL 3335 4.650 56.540 60.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11583 ATOM 11579 OW SOL 3336 13.590 69.470 54.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11584 ATOM 11580 HW1 SOL 3336 13.250 69.200 55.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11585 ATOM 11581 HW2 SOL 3336 14.120 70.320 54.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11586 ATOM 11582 OW SOL 3337 2.940 59.260 58.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11587 ATOM 11583 HW1 SOL 3337 3.100 58.440 58.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11588 ATOM 11584 HW2 SOL 3337 3.440 60.030 58.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11589 ATOM 11585 OW SOL 3338 10.500 59.060 58.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11590 ATOM 11586 HW1 SOL 3338 10.380 59.990 57.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11591 ATOM 11587 HW2 SOL 3338 11.320 59.030 58.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11592 ATOM 11588 OW SOL 3339 8.950 63.160 71.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11593 ATOM 11589 HW1 SOL 3339 8.980 62.420 70.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11594 ATOM 11590 HW2 SOL 3339 9.700 63.790 71.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11595 ATOM 11591 OW SOL 3340 13.560 70.720 62.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11596 ATOM 11592 HW1 SOL 3340 12.610 70.880 62.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11597 ATOM 11593 HW2 SOL 3340 13.930 71.570 62.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11598 ATOM 11594 OW SOL 3341 5.050 66.520 62.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11599 ATOM 11595 HW1 SOL 3341 5.200 67.020 63.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11600 ATOM 11596 HW2 SOL 3341 4.180 66.790 62.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11601 ATOM 11597 OW SOL 3342 9.720 59.960 54.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11602 ATOM 11598 HW1 SOL 3342 9.800 60.540 53.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11603 ATOM 11599 HW2 SOL 3342 10.080 60.440 55.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11604 ATOM 11600 OW SOL 3343 3.000 62.550 67.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11605 ATOM 11601 HW1 SOL 3343 3.090 61.570 67.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11606 ATOM 11602 HW2 SOL 3343 3.890 62.990 67.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11607 ATOM 11603 OW SOL 3344 6.310 59.040 67.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11608 ATOM 11604 HW1 SOL 3344 6.720 58.260 67.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11609 ATOM 11605 HW2 SOL 3344 5.700 59.520 68.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11610 ATOM 11606 OW SOL 3345 6.630 60.510 59.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11611 ATOM 11607 HW1 SOL 3345 6.250 60.320 58.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11612 ATOM 11608 HW2 SOL 3345 7.400 59.900 59.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11613 ATOM 11609 OW SOL 3346 8.760 58.920 60.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11614 ATOM 11610 HW1 SOL 3346 9.330 59.060 59.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11615 ATOM 11611 HW2 SOL 3346 8.000 58.310 59.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11616 ATOM 11612 OW SOL 3347 16.480 66.340 62.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11617 ATOM 11613 HW1 SOL 3347 16.070 65.430 62.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11618 ATOM 11614 HW2 SOL 3347 16.340 66.720 61.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11619 ATOM 11615 OW SOL 3348 15.900 61.470 64.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11620 ATOM 11616 HW1 SOL 3348 15.090 60.940 64.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11621 ATOM 11617 HW2 SOL 3348 16.720 60.900 64.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11622 ATOM 11618 OW SOL 3349 16.800 64.710 59.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11623 ATOM 11619 HW1 SOL 3349 17.670 64.810 59.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11624 ATOM 11620 HW2 SOL 3349 16.130 64.280 59.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11625 ATOM 11621 OW SOL 3350 6.130 67.200 55.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11626 ATOM 11622 HW1 SOL 3350 6.030 68.010 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11627 ATOM 11623 HW2 SOL 3350 5.260 66.710 55.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11628 ATOM 11624 OW SOL 3351 18.050 68.500 63.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11629 ATOM 11625 HW1 SOL 3351 18.170 68.400 64.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11630 ATOM 11626 HW2 SOL 3351 17.750 67.620 63.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11631 ATOM 11627 OW SOL 3352 14.070 60.830 56.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11632 ATOM 11628 HW1 SOL 3352 13.690 60.500 56.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11633 ATOM 11629 HW2 SOL 3352 14.220 61.810 56.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11634 ATOM 11630 OW SOL 3353 3.860 56.470 58.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11635 ATOM 11631 HW1 SOL 3353 3.600 56.180 58.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11636 ATOM 11632 HW2 SOL 3353 3.080 56.390 59.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11637 ATOM 11633 OW SOL 3354 12.840 68.080 69.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11638 ATOM 11634 HW1 SOL 3354 13.080 68.990 68.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11639 ATOM 11635 HW2 SOL 3354 13.430 67.870 69.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11640 ATOM 11636 OW SOL 3355 7.700 68.990 69.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11641 ATOM 11637 HW1 SOL 3355 7.370 69.910 69.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11642 ATOM 11638 HW2 SOL 3355 8.570 68.830 69.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11643 ATOM 11639 OW SOL 3356 14.180 71.170 68.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11644 ATOM 11640 HW1 SOL 3356 14.150 72.160 68.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11645 ATOM 11641 HW2 SOL 3356 15.070 70.900 69.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11646 ATOM 11642 OW SOL 3357 13.740 67.670 65.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11647 ATOM 11643 HW1 SOL 3357 13.840 68.570 65.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11648 ATOM 11644 HW2 SOL 3357 14.110 67.680 64.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11649 ATOM 11645 OW SOL 3358 16.760 66.810 65.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11650 ATOM 11646 HW1 SOL 3358 16.270 66.410 66.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11651 ATOM 11647 HW2 SOL 3358 16.380 66.480 64.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11652 ATOM 11648 OW SOL 3359 8.550 56.850 68.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11653 ATOM 11649 HW1 SOL 3359 8.790 56.850 67.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11654 ATOM 11650 HW2 SOL 3359 8.960 56.050 69.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11655 ATOM 11651 OW SOL 3360 7.600 64.480 58.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11656 ATOM 11652 HW1 SOL 3360 7.200 64.580 59.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11657 ATOM 11653 HW2 SOL 3360 8.210 63.690 58.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11658 ATOM 11654 OW SOL 3361 5.400 63.570 66.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11659 ATOM 11655 HW1 SOL 3361 5.940 64.140 66.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11660 ATOM 11656 HW2 SOL 3361 6.020 63.030 65.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11661 ATOM 11657 OW SOL 3362 11.950 60.360 68.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11662 ATOM 11658 HW1 SOL 3362 11.930 60.800 69.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11663 ATOM 11659 HW2 SOL 3362 11.150 60.640 68.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11664 ATOM 11660 OW SOL 3363 0.620 72.480 70.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11665 ATOM 11661 HW1 SOL 3363 0.660 71.500 70.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11666 ATOM 11662 HW2 SOL 3363 -0.300 72.830 70.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11667 ATOM 11663 OW SOL 3364 3.820 66.150 59.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11668 ATOM 11664 HW1 SOL 3364 3.180 66.820 59.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11669 ATOM 11665 HW2 SOL 3364 4.390 66.560 58.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11670 ATOM 11666 OW SOL 3365 4.290 62.860 62.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11671 ATOM 11667 HW1 SOL 3365 4.790 63.650 62.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11672 ATOM 11668 HW2 SOL 3365 4.920 62.080 62.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11673 ATOM 11669 OW SOL 3366 14.790 68.690 58.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11674 ATOM 11670 HW1 SOL 3366 14.920 69.590 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11675 ATOM 11671 HW2 SOL 3366 15.170 67.980 58.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11676 ATOM 11672 OW SOL 3367 15.910 71.070 64.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11677 ATOM 11673 HW1 SOL 3367 15.080 70.590 64.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11678 ATOM 11674 HW2 SOL 3367 15.900 71.150 63.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11679 ATOM 11675 OW SOL 3368 14.820 60.740 58.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11680 ATOM 11676 HW1 SOL 3368 15.140 60.650 59.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11681 ATOM 11677 HW2 SOL 3368 15.150 61.600 58.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11682 ATOM 11678 OW SOL 3369 3.910 71.070 69.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11683 ATOM 11679 HW1 SOL 3369 4.170 70.410 69.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11684 ATOM 11680 HW2 SOL 3369 3.520 70.590 70.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11685 ATOM 11681 OW SOL 3370 5.940 62.090 70.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11686 ATOM 11682 HW1 SOL 3370 6.840 62.360 70.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11687 ATOM 11683 HW2 SOL 3370 5.940 62.140 71.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11688 ATOM 11684 OW SOL 3371 15.730 64.020 0.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11689 ATOM 11685 HW1 SOL 3371 14.810 63.980 0.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11690 ATOM 11686 HW2 SOL 3371 16.370 64.390 0.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11691 ATOM 11687 OW SOL 3372 10.150 65.730 65.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11692 ATOM 11688 HW1 SOL 3372 10.130 66.420 64.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11693 ATOM 11689 HW2 SOL 3372 9.660 66.070 66.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11694 ATOM 11690 OW SOL 3373 12.550 64.280 63.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11695 ATOM 11691 HW1 SOL 3373 11.910 63.520 62.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11696 ATOM 11692 HW2 SOL 3373 13.430 64.020 62.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11697 ATOM 11693 OW SOL 3374 10.650 61.540 56.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11698 ATOM 11694 HW1 SOL 3374 9.890 61.940 57.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11699 ATOM 11695 HW2 SOL 3374 11.350 62.240 56.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11700 ATOM 11696 OW SOL 3375 3.720 56.010 65.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11701 ATOM 11697 HW1 SOL 3375 4.710 56.110 65.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11702 ATOM 11698 HW2 SOL 3375 3.470 55.110 65.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11703 ATOM 11699 OW SOL 3376 2.050 71.520 67.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11704 ATOM 11700 HW1 SOL 3376 2.580 71.600 68.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11705 ATOM 11701 HW2 SOL 3376 1.210 72.060 67.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11706 ATOM 11702 OW SOL 3377 7.100 62.240 64.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11707 ATOM 11703 HW1 SOL 3377 6.870 61.560 63.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11708 ATOM 11704 HW2 SOL 3377 7.520 63.030 64.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11709 ATOM 11705 OW SOL 3378 1.580 56.400 60.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11710 ATOM 11706 HW1 SOL 3378 1.840 57.240 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11711 ATOM 11707 HW2 SOL 3378 2.020 55.610 61.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11712 ATOM 11708 OW SOL 3379 17.430 59.510 58.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11713 ATOM 11709 HW1 SOL 3379 17.230 58.560 58.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11714 ATOM 11710 HW2 SOL 3379 16.590 59.980 58.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11715 ATOM 11711 OW SOL 3380 10.450 62.420 63.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11716 ATOM 11712 HW1 SOL 3380 10.280 62.500 64.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11717 ATOM 11713 HW2 SOL 3380 10.370 61.460 62.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11718 ATOM 11714 OW SOL 3381 16.870 70.630 69.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11719 ATOM 11715 HW1 SOL 3381 17.340 69.940 69.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11720 ATOM 11716 HW2 SOL 3381 17.420 70.850 70.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11721 ATOM 11717 OW SOL 3382 16.010 57.730 54.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11722 ATOM 11718 HW1 SOL 3382 15.340 58.460 54.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11723 ATOM 11719 HW2 SOL 3382 15.850 57.020 55.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11724 ATOM 11720 OW SOL 3383 14.530 65.310 54.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11725 ATOM 11721 HW1 SOL 3383 15.430 65.130 54.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11726 ATOM 11722 HW2 SOL 3383 14.280 64.560 53.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11727 ATOM 11723 OW SOL 3384 13.920 68.120 62.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11728 ATOM 11724 HW1 SOL 3384 13.250 67.520 62.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11729 ATOM 11725 HW2 SOL 3384 13.800 69.060 62.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11730 ATOM 11726 OW SOL 3385 3.270 65.280 65.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11731 ATOM 11727 HW1 SOL 3385 2.820 64.930 66.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11732 ATOM 11728 HW2 SOL 3385 4.120 64.770 65.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11733 ATOM 11729 OW SOL 3386 2.250 61.580 64.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11734 ATOM 11730 HW1 SOL 3386 2.770 61.400 65.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11735 ATOM 11731 HW2 SOL 3386 2.870 61.900 63.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11736 ATOM 11732 OW SOL 3387 11.600 57.720 68.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11737 ATOM 11733 HW1 SOL 3387 11.260 57.390 69.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11738 ATOM 11734 HW2 SOL 3387 11.670 58.710 68.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11739 ATOM 11735 OW SOL 3388 0.270 68.480 58.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11740 ATOM 11736 HW1 SOL 3388 -0.010 68.960 57.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11741 ATOM 11737 HW2 SOL 3388 -0.330 67.700 58.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11742 ATOM 11738 OW SOL 3389 4.740 70.160 63.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11743 ATOM 11739 HW1 SOL 3389 4.300 69.600 62.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11744 ATOM 11740 HW2 SOL 3389 5.730 70.020 63.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11745 ATOM 11741 OW SOL 3390 7.590 70.320 62.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11746 ATOM 11742 HW1 SOL 3390 8.210 70.540 63.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11747 ATOM 11743 HW2 SOL 3390 7.870 69.460 61.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11748 ATOM 11744 OW SOL 3391 10.610 63.160 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11749 ATOM 11745 HW1 SOL 3391 10.460 64.140 65.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11750 ATOM 11746 HW2 SOL 3391 11.580 62.960 65.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11751 ATOM 11747 OW SOL 3392 1.080 63.240 65.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11752 ATOM 11748 HW1 SOL 3392 1.480 62.590 65.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11753 ATOM 11749 HW2 SOL 3392 1.350 62.990 66.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11754 ATOM 11750 OW SOL 3393 5.870 60.170 57.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11755 ATOM 11751 HW1 SOL 3393 6.330 59.640 56.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11756 ATOM 11752 HW2 SOL 3393 4.910 59.920 57.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11757 ATOM 11753 OW SOL 3394 14.910 64.050 69.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11758 ATOM 11754 HW1 SOL 3394 14.110 64.440 69.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11759 ATOM 11755 HW2 SOL 3394 14.970 64.390 70.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11760 ATOM 11756 OW SOL 3395 1.400 69.650 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11761 ATOM 11757 HW1 SOL 3395 1.380 68.680 71.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11762 ATOM 11758 HW2 SOL 3395 1.780 69.750 72.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11763 ATOM 11759 OW SOL 3396 7.810 61.310 66.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11764 ATOM 11760 HW1 SOL 3396 7.220 60.510 66.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11765 ATOM 11761 HW2 SOL 3396 7.590 61.830 66.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11766 ATOM 11762 OW SOL 3397 2.570 60.240 55.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11767 ATOM 11763 HW1 SOL 3397 2.320 60.150 56.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11768 ATOM 11764 HW2 SOL 3397 1.930 59.720 54.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11769 ATOM 11765 OW SOL 3398 0.730 67.080 70.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11770 ATOM 11766 HW1 SOL 3398 1.130 66.630 71.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11771 ATOM 11767 HW2 SOL 3398 1.050 66.610 70.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11772 ATOM 11768 OW SOL 3399 13.340 65.130 65.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11773 ATOM 11769 HW1 SOL 3399 12.920 64.790 64.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11774 ATOM 11770 HW2 SOL 3399 13.500 66.110 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11775 ATOM 11771 OW SOL 3400 19.990 70.240 66.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11776 ATOM 11772 HW1 SOL 3400 20.620 70.260 66.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11777 ATOM 11773 HW2 SOL 3400 19.140 69.790 66.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11778 ATOM 11774 OW SOL 3401 14.060 0.600 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11779 ATOM 11775 HW1 SOL 3401 14.200 0.770 63.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11780 ATOM 11776 HW2 SOL 3401 14.760 -0.020 64.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11781 ATOM 11777 OW SOL 3402 1.770 69.580 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11782 ATOM 11778 HW1 SOL 3402 1.750 69.780 66.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11783 ATOM 11779 HW2 SOL 3402 0.930 69.110 65.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11784 ATOM 11780 OW SOL 3403 17.470 56.690 60.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11785 ATOM 11781 HW1 SOL 3403 17.120 56.860 60.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11786 ATOM 11782 HW2 SOL 3403 18.330 57.170 61.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11787 ATOM 11783 OW SOL 3404 15.750 71.490 58.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11788 ATOM 11784 HW1 SOL 3404 16.540 71.130 57.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11789 ATOM 11785 HW2 SOL 3404 15.080 71.840 57.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11790 ATOM 11786 OW SOL 3405 15.190 63.490 62.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11791 ATOM 11787 HW1 SOL 3405 15.520 62.830 63.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11792 ATOM 11788 HW2 SOL 3405 15.270 63.100 61.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11793 ATOM 11789 OW SOL 3406 6.740 71.490 70.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11794 ATOM 11790 HW1 SOL 3406 5.800 71.170 70.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11795 ATOM 11791 HW2 SOL 3406 6.770 72.490 70.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11796 ATOM 11792 OW SOL 3407 5.290 67.680 57.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11797 ATOM 11793 HW1 SOL 3407 4.480 68.230 57.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11798 ATOM 11794 HW2 SOL 3407 5.660 67.940 56.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11799 ATOM 11795 OW SOL 3408 17.780 56.970 67.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11800 ATOM 11796 HW1 SOL 3408 18.430 56.720 66.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11801 ATOM 11797 HW2 SOL 3408 16.900 57.200 66.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11802 ATOM 11798 OW SOL 3409 2.360 58.750 62.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11803 ATOM 11799 HW1 SOL 3409 1.920 59.620 61.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11804 ATOM 11800 HW2 SOL 3409 2.560 58.710 63.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11805 ATOM 11801 OW SOL 3410 9.580 71.630 55.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11806 ATOM 11802 HW1 SOL 3410 9.090 70.800 54.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11807 ATOM 11803 HW2 SOL 3410 9.900 71.570 55.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11808 ATOM 11804 OW SOL 3411 8.560 67.220 67.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11809 ATOM 11805 HW1 SOL 3411 8.680 67.650 68.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11810 ATOM 11806 HW2 SOL 3411 8.050 67.840 66.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11811 ATOM 11807 OW SOL 3412 11.950 64.270 56.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11812 ATOM 11808 HW1 SOL 3412 11.740 64.780 55.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11813 ATOM 11809 HW2 SOL 3412 12.940 64.190 56.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11814 ATOM 11810 OW SOL 3413 3.930 66.890 67.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11815 ATOM 11811 HW1 SOL 3413 4.320 67.810 67.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11816 ATOM 11812 HW2 SOL 3413 4.510 66.260 67.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11817 ATOM 11813 OW SOL 3414 15.600 65.580 67.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11818 ATOM 11814 HW1 SOL 3414 15.510 65.340 68.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11819 ATOM 11815 HW2 SOL 3414 14.730 65.410 67.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11820 ATOM 11816 OW SOL 3415 11.180 66.500 61.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11821 ATOM 11817 HW1 SOL 3415 11.400 65.650 61.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11822 ATOM 11818 HW2 SOL 3415 11.080 66.310 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11823 ATOM 11819 OW SOL 3416 8.170 59.090 64.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11824 ATOM 11820 HW1 SOL 3416 7.280 58.710 63.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11825 ATOM 11821 HW2 SOL 3416 8.460 58.720 64.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11826 ATOM 11822 OW SOL 3417 7.970 67.780 59.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11827 ATOM 11823 HW1 SOL 3417 8.650 67.180 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11828 ATOM 11824 HW2 SOL 3417 7.060 67.480 58.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11829 ATOM 11825 OW SOL 3418 17.020 59.820 69.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11830 ATOM 11826 HW1 SOL 3418 17.430 60.390 68.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11831 ATOM 11827 HW2 SOL 3418 17.630 59.070 69.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11832 ATOM 11828 OW SOL 3419 3.080 69.380 58.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11833 ATOM 11829 HW1 SOL 3419 2.150 69.170 58.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11834 ATOM 11830 HW2 SOL 3419 3.260 70.350 58.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11835 ATOM 11831 OW SOL 3420 1.450 65.070 0.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11836 ATOM 11832 HW1 SOL 3420 1.000 64.470 0.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11837 ATOM 11833 HW2 SOL 3420 2.330 64.660 -0.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11838 ATOM 11834 OW SOL 3421 6.120 55.560 69.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11839 ATOM 11835 HW1 SOL 3421 6.750 56.020 69.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11840 ATOM 11836 HW2 SOL 3421 5.910 56.160 70.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11841 ATOM 11837 OW SOL 3422 71.070 58.260 54.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11842 ATOM 11838 HW1 SOL 3422 70.840 57.560 53.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11843 ATOM 11839 HW2 SOL 3422 70.660 58.000 54.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11844 ATOM 11840 OW SOL 3423 12.710 65.290 68.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11845 ATOM 11841 HW1 SOL 3423 12.830 65.170 67.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11846 ATOM 11842 HW2 SOL 3423 12.680 66.270 68.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11847 ATOM 11843 OW SOL 3424 0.200 59.090 57.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11848 ATOM 11844 HW1 SOL 3424 1.060 59.020 57.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11849 ATOM 11845 HW2 SOL 3424 -0.140 58.170 56.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11850 ATOM 11846 OW SOL 3425 12.570 68.630 56.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11851 ATOM 11847 HW1 SOL 3425 12.390 67.760 56.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11852 ATOM 11848 HW2 SOL 3425 13.080 68.470 57.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11853 ATOM 11849 OW SOL 3426 6.420 65.620 67.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11854 ATOM 11850 HW1 SOL 3426 7.290 66.030 67.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11855 ATOM 11851 HW2 SOL 3426 6.240 65.800 68.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11856 ATOM 11852 OW SOL 3427 15.270 0.870 61.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11857 ATOM 11853 HW1 SOL 3427 16.010 0.370 61.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11858 ATOM 11854 HW2 SOL 3427 15.070 1.710 61.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11859 ATOM 11855 OW SOL 3428 8.320 58.730 70.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11860 ATOM 11856 HW1 SOL 3428 8.530 58.040 69.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11861 ATOM 11857 HW2 SOL 3428 7.610 58.370 71.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11862 ATOM 11858 OW SOL 3429 3.050 0.670 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11863 ATOM 11859 HW1 SOL 3429 2.180 0.390 70.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11864 ATOM 11860 HW2 SOL 3429 3.750 -0.010 71.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11865 ATOM 11861 OW SOL 3430 18.250 63.260 65.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11866 ATOM 11862 HW1 SOL 3430 17.650 62.780 66.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11867 ATOM 11863 HW2 SOL 3430 17.730 63.580 64.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11868 ATOM 11864 OW SOL 3431 12.520 59.400 60.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11869 ATOM 11865 HW1 SOL 3431 12.880 58.520 60.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11870 ATOM 11866 HW2 SOL 3431 13.290 60.000 59.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11871 ATOM 11867 OW SOL 3432 5.920 60.840 62.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11872 ATOM 11868 HW1 SOL 3432 6.150 60.550 61.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11873 ATOM 11869 HW2 SOL 3432 5.940 60.050 63.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11874 ATOM 11870 OW SOL 3433 17.710 67.660 71.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11875 ATOM 11871 HW1 SOL 3433 17.970 67.610 70.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11876 ATOM 11872 HW2 SOL 3433 18.090 68.500 71.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11877 ATOM 11873 OW SOL 3434 8.890 69.110 56.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11878 ATOM 11874 HW1 SOL 3434 9.460 68.320 56.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11879 ATOM 11875 HW2 SOL 3434 8.230 69.280 57.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11880 ATOM 11876 OW SOL 3435 8.410 64.300 63.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11881 ATOM 11877 HW1 SOL 3435 8.730 65.130 64.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11882 ATOM 11878 HW2 SOL 3435 9.200 63.750 63.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11883 ATOM 11879 OW SOL 3436 12.010 66.450 54.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11884 ATOM 11880 HW1 SOL 3436 11.800 66.970 53.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11885 ATOM 11881 HW2 SOL 3436 13.000 66.260 54.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11886 ATOM 11882 OW SOL 3437 19.390 0.300 61.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11887 ATOM 11883 HW1 SOL 3437 18.600 0.020 61.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11888 ATOM 11884 HW2 SOL 3437 20.230 0.080 61.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11889 ATOM 11885 OW SOL 3438 2.410 67.370 61.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11890 ATOM 11886 HW1 SOL 3438 1.730 67.000 62.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11891 ATOM 11887 HW2 SOL 3438 2.500 68.360 61.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11892 ATOM 11888 OW SOL 3439 5.050 69.670 71.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11893 ATOM 11889 HW1 SOL 3439 5.140 68.720 71.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11894 ATOM 11890 HW2 SOL 3439 5.080 69.690 72.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11895 ATOM 11891 OW SOL 3440 18.110 59.960 67.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11896 ATOM 11892 HW1 SOL 3440 18.630 60.620 67.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11897 ATOM 11893 HW2 SOL 3440 18.090 59.080 67.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11898 ATOM 11894 OW SOL 3441 5.620 58.260 63.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11899 ATOM 11895 HW1 SOL 3441 5.390 57.900 62.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11900 ATOM 11896 HW2 SOL 3441 5.500 57.540 64.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11901 ATOM 11897 OW SOL 3442 17.420 69.350 66.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11902 ATOM 11898 HW1 SOL 3442 16.870 70.110 65.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11903 ATOM 11899 HW2 SOL 3442 16.960 68.490 65.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11904 ATOM 11900 OW SOL 3443 3.310 60.000 66.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11905 ATOM 11901 HW1 SOL 3443 3.800 59.640 67.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11906 ATOM 11902 HW2 SOL 3443 3.110 59.260 66.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11907 ATOM 11903 OW SOL 3444 11.040 71.700 62.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11908 ATOM 11904 HW1 SOL 3444 10.860 72.540 62.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11909 ATOM 11905 HW2 SOL 3444 10.190 71.370 63.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11910 ATOM 11906 OW SOL 3445 14.270 59.750 67.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11911 ATOM 11907 HW1 SOL 3445 15.020 60.040 68.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11912 ATOM 11908 HW2 SOL 3445 13.400 59.940 68.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11913 ATOM 11909 OW SOL 3446 8.950 56.560 65.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11914 ATOM 11910 HW1 SOL 3446 9.050 55.750 65.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11915 ATOM 11911 HW2 SOL 3446 9.840 57.020 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11916 ATOM 11912 OW SOL 3447 10.020 66.580 57.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11917 ATOM 11913 HW1 SOL 3447 9.320 66.220 56.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11918 ATOM 11914 HW2 SOL 3447 10.200 65.910 58.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11919 ATOM 11915 OW SOL 3448 8.800 71.150 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11920 ATOM 11916 HW1 SOL 3448 8.630 71.880 65.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11921 ATOM 11917 HW2 SOL 3448 9.510 70.540 64.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11922 ATOM 11918 OW SOL 3449 13.990 56.190 56.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11923 ATOM 11919 HW1 SOL 3449 14.000 55.450 57.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11924 ATOM 11920 HW2 SOL 3449 13.100 56.640 56.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11925 ATOM 11921 OW SOL 3450 13.530 60.360 63.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11926 ATOM 11922 HW1 SOL 3450 13.040 59.750 62.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11927 ATOM 11923 HW2 SOL 3450 12.950 60.580 63.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11928 ATOM 11924 OW SOL 3451 15.420 58.000 66.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11929 ATOM 11925 HW1 SOL 3451 14.760 58.520 66.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11930 ATOM 11926 HW2 SOL 3451 15.670 58.500 65.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11931 ATOM 11927 OW SOL 3452 72.430 63.820 57.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11932 ATOM 11928 HW1 SOL 3452 72.820 64.130 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11933 ATOM 11929 HW2 SOL 3452 72.050 62.900 57.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11934 ATOM 11930 OW SOL 3453 19.960 6.360 71.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11935 ATOM 11931 HW1 SOL 3453 19.420 6.660 72.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11936 ATOM 11932 HW2 SOL 3453 20.380 7.150 71.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11937 ATOM 11933 OW SOL 3454 18.780 2.800 10.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11938 ATOM 11934 HW1 SOL 3454 19.160 2.180 11.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11939 ATOM 11935 HW2 SOL 3454 19.200 2.610 9.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11940 ATOM 11936 OW SOL 3455 19.470 2.810 7.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11941 ATOM 11937 HW1 SOL 3455 18.610 2.370 7.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11942 ATOM 11938 HW2 SOL 3455 20.230 2.360 7.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11943 ATOM 11939 OW SOL 3456 21.800 12.330 12.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11944 ATOM 11940 HW1 SOL 3456 20.900 12.000 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11945 ATOM 11941 HW2 SOL 3456 21.700 13.050 11.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11946 ATOM 11942 OW SOL 3457 34.110 15.360 6.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11947 ATOM 11943 HW1 SOL 3457 34.200 15.380 7.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11948 ATOM 11944 HW2 SOL 3457 34.600 14.580 5.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11949 ATOM 11945 OW SOL 3458 30.490 5.650 7.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11950 ATOM 11946 HW1 SOL 3458 31.370 6.120 7.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11951 ATOM 11947 HW2 SOL 3458 29.790 6.220 7.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11952 ATOM 11948 OW SOL 3459 32.140 6.190 0.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11953 ATOM 11949 HW1 SOL 3459 32.640 6.790 -0.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11954 ATOM 11950 HW2 SOL 3459 32.490 6.310 0.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11955 ATOM 11951 OW SOL 3460 24.290 11.500 11.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11956 ATOM 11952 HW1 SOL 3460 23.470 11.900 12.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11957 ATOM 11953 HW2 SOL 3460 24.720 12.170 11.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11958 ATOM 11954 OW SOL 3461 26.280 6.270 19.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11959 ATOM 11955 HW1 SOL 3461 25.390 6.510 19.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11960 ATOM 11956 HW2 SOL 3461 26.900 7.050 19.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11961 ATOM 11957 OW SOL 3462 24.440 9.460 6.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11962 ATOM 11958 HW1 SOL 3462 24.910 9.630 7.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11963 ATOM 11959 HW2 SOL 3462 23.480 9.250 6.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11964 ATOM 11960 OW SOL 3463 25.090 12.460 18.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11965 ATOM 11961 HW1 SOL 3463 25.360 12.750 19.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11966 ATOM 11962 HW2 SOL 3463 24.100 12.570 18.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11967 ATOM 11963 OW SOL 3464 21.280 14.180 10.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11968 ATOM 11964 HW1 SOL 3464 20.350 14.000 10.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11969 ATOM 11965 HW2 SOL 3464 21.900 14.300 9.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11970 ATOM 11966 OW SOL 3465 33.840 16.720 13.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11971 ATOM 11967 HW1 SOL 3465 34.440 17.370 12.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11972 ATOM 11968 HW2 SOL 3465 33.050 17.210 13.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11973 ATOM 11969 OW SOL 3466 22.820 2.250 15.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11974 ATOM 11970 HW1 SOL 3466 23.750 1.900 15.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11975 ATOM 11971 HW2 SOL 3466 22.180 1.510 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11976 ATOM 11972 OW SOL 3467 32.880 3.940 6.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11977 ATOM 11973 HW1 SOL 3467 32.820 4.900 5.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11978 ATOM 11974 HW2 SOL 3467 32.110 3.690 6.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11979 ATOM 11975 OW SOL 3468 23.100 16.280 5.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11980 ATOM 11976 HW1 SOL 3468 22.390 16.960 5.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11981 ATOM 11977 HW2 SOL 3468 22.930 15.850 4.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11982 ATOM 11978 OW SOL 3469 29.110 11.830 15.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11983 ATOM 11979 HW1 SOL 3469 28.660 11.940 16.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11984 ATOM 11980 HW2 SOL 3469 29.910 12.420 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11985 ATOM 11981 OW SOL 3470 19.740 14.730 4.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11986 ATOM 11982 HW1 SOL 3470 19.570 15.090 3.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11987 ATOM 11983 HW2 SOL 3470 19.210 15.260 5.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11988 ATOM 11984 OW SOL 3471 20.100 10.390 10.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11989 ATOM 11985 HW1 SOL 3471 20.190 9.790 10.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11990 ATOM 11986 HW2 SOL 3471 19.170 10.740 10.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11991 ATOM 11987 OW SOL 3472 25.000 16.890 16.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11992 ATOM 11988 HW1 SOL 3472 24.070 17.180 16.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11993 ATOM 11989 HW2 SOL 3472 25.650 17.330 15.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11994 ATOM 11990 OW SOL 3473 23.150 8.940 1.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11995 ATOM 11991 HW1 SOL 3473 23.990 9.470 1.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11996 ATOM 11992 HW2 SOL 3473 22.750 8.980 2.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11997 ATOM 11993 OW SOL 3474 33.510 72.240 15.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11998 ATOM 11994 HW1 SOL 3474 34.130 72.180 16.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
11999 ATOM 11995 HW2 SOL 3474 32.880 73.000 15.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12000 ATOM 11996 OW SOL 3475 18.370 5.110 7.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12001 ATOM 11997 HW1 SOL 3475 18.860 4.250 7.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12002 ATOM 11998 HW2 SOL 3475 18.540 5.720 7.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12003 ATOM 11999 OW SOL 3476 36.050 16.550 2.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12004 ATOM 12000 HW1 SOL 3476 36.510 16.260 3.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12005 ATOM 12001 HW2 SOL 3476 36.270 17.510 2.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12006 ATOM 12002 OW SOL 3477 17.530 15.210 1.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12007 ATOM 12003 HW1 SOL 3477 16.750 15.450 2.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12008 ATOM 12004 HW2 SOL 3477 18.260 15.880 2.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12009 ATOM 12005 OW SOL 3478 34.520 10.470 6.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12010 ATOM 12006 HW1 SOL 3478 34.400 9.940 6.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12011 ATOM 12007 HW2 SOL 3478 34.140 11.390 6.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12012 ATOM 12008 OW SOL 3479 33.780 12.660 4.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12013 ATOM 12009 HW1 SOL 3479 33.990 13.400 3.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12014 ATOM 12010 HW2 SOL 3479 34.600 12.410 4.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12015 ATOM 12011 OW SOL 3480 17.340 7.510 16.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12016 ATOM 12012 HW1 SOL 3480 18.240 7.870 16.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12017 ATOM 12013 HW2 SOL 3480 16.880 8.170 15.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12018 ATOM 12014 OW SOL 3481 23.310 13.420 8.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12019 ATOM 12015 HW1 SOL 3481 22.630 12.720 8.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12020 ATOM 12016 HW2 SOL 3481 23.640 13.320 7.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12021 ATOM 12017 OW SOL 3482 32.650 12.580 13.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12022 ATOM 12018 HW1 SOL 3482 31.670 12.440 13.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12023 ATOM 12019 HW2 SOL 3482 32.930 12.170 14.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12024 ATOM 12020 OW SOL 3483 27.690 70.230 3.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12025 ATOM 12021 HW1 SOL 3483 26.960 69.550 3.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12026 ATOM 12022 HW2 SOL 3483 27.810 70.700 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12027 ATOM 12023 OW SOL 3484 20.420 9.010 12.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12028 ATOM 12024 HW1 SOL 3484 21.240 8.800 13.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12029 ATOM 12025 HW2 SOL 3484 19.880 8.170 12.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12030 ATOM 12026 OW SOL 3485 32.910 9.610 4.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12031 ATOM 12027 HW1 SOL 3485 32.010 9.190 4.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12032 ATOM 12028 HW2 SOL 3485 32.860 10.580 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12033 ATOM 12029 OW SOL 3486 32.040 18.190 14.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12034 ATOM 12030 HW1 SOL 3486 31.470 19.020 14.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12035 ATOM 12031 HW2 SOL 3486 31.550 17.430 14.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12036 ATOM 12032 OW SOL 3487 23.570 3.310 18.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12037 ATOM 12033 HW1 SOL 3487 22.890 4.040 18.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12038 ATOM 12034 HW2 SOL 3487 23.280 2.670 17.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12039 ATOM 12035 OW SOL 3488 33.310 14.820 9.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12040 ATOM 12036 HW1 SOL 3488 32.750 15.490 9.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12041 ATOM 12037 HW2 SOL 3488 32.930 13.910 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12042 ATOM 12038 OW SOL 3489 34.640 18.090 5.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12043 ATOM 12039 HW1 SOL 3489 33.710 18.420 5.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12044 ATOM 12040 HW2 SOL 3489 34.640 17.090 5.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12045 ATOM 12041 OW SOL 3490 24.250 6.660 2.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12046 ATOM 12042 HW1 SOL 3490 24.210 7.360 2.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12047 ATOM 12043 HW2 SOL 3490 23.880 5.800 2.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12048 ATOM 12044 OW SOL 3491 31.160 2.890 10.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12049 ATOM 12045 HW1 SOL 3491 30.810 2.710 11.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12050 ATOM 12046 HW2 SOL 3491 32.130 3.120 10.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12051 ATOM 12047 OW SOL 3492 33.670 15.290 2.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12052 ATOM 12048 HW1 SOL 3492 34.420 15.930 2.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12053 ATOM 12049 HW2 SOL 3492 33.100 15.630 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12054 ATOM 12050 OW SOL 3493 27.260 5.170 14.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12055 ATOM 12051 HW1 SOL 3493 26.670 5.220 15.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12056 ATOM 12052 HW2 SOL 3493 27.680 4.260 14.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12057 ATOM 12053 OW SOL 3494 32.420 5.720 13.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12058 ATOM 12054 HW1 SOL 3494 32.680 4.850 14.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12059 ATOM 12055 HW2 SOL 3494 33.150 6.390 13.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12060 ATOM 12056 OW SOL 3495 26.300 8.980 15.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12061 ATOM 12057 HW1 SOL 3495 26.830 8.470 14.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12062 ATOM 12058 HW2 SOL 3495 25.690 9.620 15.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12063 ATOM 12059 OW SOL 3496 27.960 4.080 11.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12064 ATOM 12060 HW1 SOL 3496 27.330 4.790 11.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12065 ATOM 12061 HW2 SOL 3496 27.430 3.310 10.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12066 ATOM 12062 OW SOL 3497 29.860 5.500 4.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12067 ATOM 12063 HW1 SOL 3497 29.980 5.240 5.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12068 ATOM 12064 HW2 SOL 3497 28.880 5.560 4.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12069 ATOM 12065 OW SOL 3498 18.870 7.000 9.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12070 ATOM 12066 HW1 SOL 3498 19.680 6.930 9.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12071 ATOM 12067 HW2 SOL 3498 19.080 7.580 8.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12072 ATOM 12068 OW SOL 3499 20.580 19.370 14.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12073 ATOM 12069 HW1 SOL 3499 20.610 20.150 15.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12074 ATOM 12070 HW2 SOL 3499 20.380 19.690 14.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12075 ATOM 12071 OW SOL 3500 26.210 3.460 2.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12076 ATOM 12072 HW1 SOL 3500 25.260 3.640 2.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12077 ATOM 12073 HW2 SOL 3500 26.310 2.500 3.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12078 ATOM 12074 OW SOL 3501 33.900 5.370 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12079 ATOM 12075 HW1 SOL 3501 33.930 6.090 16.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12080 ATOM 12076 HW2 SOL 3501 33.880 4.480 16.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12081 ATOM 12077 OW SOL 3502 31.950 12.170 6.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12082 ATOM 12078 HW1 SOL 3502 32.580 12.720 5.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12083 ATOM 12079 HW2 SOL 3502 31.010 12.400 5.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12084 ATOM 12080 OW SOL 3503 23.500 0.740 11.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12085 ATOM 12081 HW1 SOL 3503 24.180 0.080 11.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12086 ATOM 12082 HW2 SOL 3503 23.920 1.630 11.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12087 ATOM 12083 OW SOL 3504 26.880 14.880 5.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12088 ATOM 12084 HW1 SOL 3504 26.170 14.490 5.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12089 ATOM 12085 HW2 SOL 3504 26.620 15.800 4.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12090 ATOM 12086 OW SOL 3505 21.540 17.860 7.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12091 ATOM 12087 HW1 SOL 3505 22.260 17.290 8.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12092 ATOM 12088 HW2 SOL 3505 21.930 18.740 7.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12093 ATOM 12089 OW SOL 3506 35.820 10.810 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12094 ATOM 12090 HW1 SOL 3506 35.820 10.820 8.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12095 ATOM 12091 HW2 SOL 3506 34.880 10.730 10.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12096 ATOM 12092 OW SOL 3507 30.920 15.770 15.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12097 ATOM 12093 HW1 SOL 3507 31.240 14.950 15.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12098 ATOM 12094 HW2 SOL 3507 30.020 15.590 14.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12099 ATOM 12095 OW SOL 3508 22.280 9.570 4.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12100 ATOM 12096 HW1 SOL 3508 23.030 10.210 4.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12101 ATOM 12097 HW2 SOL 3508 22.110 9.080 4.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12102 ATOM 12098 OW SOL 3509 35.050 7.860 7.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12103 ATOM 12099 HW1 SOL 3509 35.880 7.870 8.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12104 ATOM 12100 HW2 SOL 3509 34.720 8.800 7.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12105 ATOM 12101 OW SOL 3510 21.940 14.460 20.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12106 ATOM 12102 HW1 SOL 3510 22.060 14.230 19.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12107 ATOM 12103 HW2 SOL 3510 21.110 14.040 20.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12108 ATOM 12104 OW SOL 3511 26.570 17.410 2.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12109 ATOM 12105 HW1 SOL 3511 26.240 17.510 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12110 ATOM 12106 HW2 SOL 3511 27.180 16.620 2.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12111 ATOM 12107 OW SOL 3512 19.820 1.390 14.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12112 ATOM 12108 HW1 SOL 3512 19.200 2.130 14.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12113 ATOM 12109 HW2 SOL 3512 19.700 1.160 15.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12114 ATOM 12110 OW SOL 3513 34.460 12.700 0.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12115 ATOM 12111 HW1 SOL 3513 34.520 13.610 1.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12116 ATOM 12112 HW2 SOL 3513 33.550 12.320 0.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12117 ATOM 12113 OW SOL 3514 22.290 18.910 72.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12118 ATOM 12114 HW1 SOL 3514 22.360 19.640 73.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12119 ATOM 12115 HW2 SOL 3514 23.040 18.260 72.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12120 ATOM 12116 OW SOL 3515 30.610 0.750 4.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12121 ATOM 12117 HW1 SOL 3515 30.530 0.890 3.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12122 ATOM 12118 HW2 SOL 3515 31.180 1.460 4.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12123 ATOM 12119 OW SOL 3516 22.580 17.890 10.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12124 ATOM 12120 HW1 SOL 3516 22.160 17.170 11.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12125 ATOM 12121 HW2 SOL 3516 23.170 17.490 10.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12126 ATOM 12122 OW SOL 3517 28.160 18.210 8.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12127 ATOM 12123 HW1 SOL 3517 29.060 18.520 8.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12128 ATOM 12124 HW2 SOL 3517 27.450 18.710 7.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12129 ATOM 12125 OW SOL 3518 21.850 8.260 6.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12130 ATOM 12126 HW1 SOL 3518 22.040 7.290 6.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12131 ATOM 12127 HW2 SOL 3518 20.900 8.370 6.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12132 ATOM 12128 OW SOL 3519 31.700 1.340 16.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12133 ATOM 12129 HW1 SOL 3519 32.430 1.830 17.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12134 ATOM 12130 HW2 SOL 3519 31.080 1.990 16.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12135 ATOM 12131 OW SOL 3520 23.050 1.110 3.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12136 ATOM 12132 HW1 SOL 3520 23.080 1.240 2.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12137 ATOM 12133 HW2 SOL 3520 23.940 0.770 3.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12138 ATOM 12134 OW SOL 3521 27.120 1.610 17.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12139 ATOM 12135 HW1 SOL 3521 27.830 1.020 17.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12140 ATOM 12136 HW2 SOL 3521 26.690 1.160 18.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12141 ATOM 12137 OW SOL 3522 26.250 14.280 12.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12142 ATOM 12138 HW1 SOL 3522 26.010 13.800 11.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12143 ATOM 12139 HW2 SOL 3522 26.430 13.620 13.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12144 ATOM 12140 OW SOL 3523 30.440 7.500 12.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12145 ATOM 12141 HW1 SOL 3523 30.960 6.760 13.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12146 ATOM 12142 HW2 SOL 3523 30.580 8.350 13.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12147 ATOM 12143 OW SOL 3524 25.370 13.140 10.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12148 ATOM 12144 HW1 SOL 3524 26.120 13.030 9.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12149 ATOM 12145 HW2 SOL 3524 24.550 13.430 9.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12150 ATOM 12146 OW SOL 3525 28.190 6.170 9.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12151 ATOM 12147 HW1 SOL 3525 27.370 5.960 8.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12152 ATOM 12148 HW2 SOL 3525 28.300 5.480 9.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12153 ATOM 12149 OW SOL 3526 21.570 72.500 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12154 ATOM 12150 HW1 SOL 3526 21.540 73.210 5.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12155 ATOM 12151 HW2 SOL 3526 21.860 72.910 4.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12156 ATOM 12152 OW SOL 3527 31.730 11.760 1.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12157 ATOM 12153 HW1 SOL 3527 31.390 10.950 0.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12158 ATOM 12154 HW2 SOL 3527 30.990 12.170 1.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12159 ATOM 12155 OW SOL 3528 19.630 71.930 1.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12160 ATOM 12156 HW1 SOL 3528 19.860 72.840 1.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12161 ATOM 12157 HW2 SOL 3528 19.710 71.930 2.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12162 ATOM 12158 OW SOL 3529 25.150 3.490 6.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12163 ATOM 12159 HW1 SOL 3529 24.800 3.320 5.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12164 ATOM 12160 HW2 SOL 3529 25.550 2.650 6.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12165 ATOM 12161 OW SOL 3530 27.860 7.550 13.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12166 ATOM 12162 HW1 SOL 3530 27.730 6.750 14.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12167 ATOM 12163 HW2 SOL 3530 28.760 7.500 13.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12168 ATOM 12164 OW SOL 3531 30.000 15.640 7.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12169 ATOM 12165 HW1 SOL 3531 30.080 16.640 7.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12170 ATOM 12166 HW2 SOL 3531 30.700 15.260 6.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12171 ATOM 12167 OW SOL 3532 21.660 11.330 8.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12172 ATOM 12168 HW1 SOL 3532 21.270 10.990 8.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12173 ATOM 12169 HW2 SOL 3532 21.140 10.970 7.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12174 ATOM 12170 OW SOL 3533 30.720 18.430 7.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12175 ATOM 12171 HW1 SOL 3533 31.040 18.380 6.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12176 ATOM 12172 HW2 SOL 3533 31.500 18.600 7.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12177 ATOM 12173 OW SOL 3534 26.960 6.240 1.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12178 ATOM 12174 HW1 SOL 3534 26.720 6.110 2.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12179 ATOM 12175 HW2 SOL 3534 27.960 6.220 1.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12180 ATOM 12176 OW SOL 3535 19.000 5.700 15.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12181 ATOM 12177 HW1 SOL 3535 19.790 5.370 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12182 ATOM 12178 HW2 SOL 3535 18.290 6.000 15.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12183 ATOM 12179 OW SOL 3536 23.130 3.960 13.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12184 ATOM 12180 HW1 SOL 3536 23.270 3.330 14.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12185 ATOM 12181 HW2 SOL 3536 23.660 3.650 13.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12186 ATOM 12182 OW SOL 3537 25.820 5.520 7.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12187 ATOM 12183 HW1 SOL 3537 25.490 5.980 7.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12188 ATOM 12184 HW2 SOL 3537 25.400 4.620 8.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12189 ATOM 12185 OW SOL 3538 26.080 1.170 7.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12190 ATOM 12186 HW1 SOL 3538 27.010 1.130 6.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12191 ATOM 12187 HW2 SOL 3538 25.750 0.240 7.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12192 ATOM 12188 OW SOL 3539 32.110 12.390 8.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12193 ATOM 12189 HW1 SOL 3539 31.250 12.070 9.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12194 ATOM 12190 HW2 SOL 3539 32.110 12.190 7.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12195 ATOM 12191 OW SOL 3540 33.200 7.520 11.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12196 ATOM 12192 HW1 SOL 3540 32.230 7.380 11.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12197 ATOM 12193 HW2 SOL 3540 33.750 6.990 11.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12198 ATOM 12194 OW SOL 3541 35.600 8.530 4.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12199 ATOM 12195 HW1 SOL 3541 35.980 7.860 5.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12200 ATOM 12196 HW2 SOL 3541 34.600 8.450 4.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12201 ATOM 12197 OW SOL 3542 23.290 12.380 3.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12202 ATOM 12198 HW1 SOL 3542 22.320 12.340 3.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12203 ATOM 12199 HW2 SOL 3542 23.360 12.300 2.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12204 ATOM 12200 OW SOL 3543 36.360 13.110 5.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12205 ATOM 12201 HW1 SOL 3543 36.870 13.230 5.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12206 ATOM 12202 HW2 SOL 3543 36.990 12.860 4.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12207 ATOM 12203 OW SOL 3544 27.100 2.450 72.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12208 ATOM 12204 HW1 SOL 3544 27.660 2.700 72.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12209 ATOM 12205 HW2 SOL 3544 27.690 2.120 71.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12210 ATOM 12206 OW SOL 3545 23.620 3.850 2.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12211 ATOM 12207 HW1 SOL 3545 22.940 3.470 2.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12212 ATOM 12208 HW2 SOL 3545 23.180 4.050 1.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12213 ATOM 12209 OW SOL 3546 34.240 13.740 16.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12214 ATOM 12210 HW1 SOL 3546 34.280 12.750 16.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12215 ATOM 12211 HW2 SOL 3546 35.150 14.130 16.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12216 ATOM 12212 OW SOL 3547 27.580 12.120 13.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12217 ATOM 12213 HW1 SOL 3547 28.200 11.870 14.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12218 ATOM 12214 HW2 SOL 3547 27.480 11.360 13.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12219 ATOM 12215 OW SOL 3548 35.010 16.960 15.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12220 ATOM 12216 HW1 SOL 3548 34.730 16.880 14.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12221 ATOM 12217 HW2 SOL 3548 35.610 16.190 16.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12222 ATOM 12218 OW SOL 3549 29.910 14.900 12.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12223 ATOM 12219 HW1 SOL 3549 29.080 15.230 12.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12224 ATOM 12220 HW2 SOL 3549 29.670 14.410 11.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12225 ATOM 12221 OW SOL 3550 33.450 11.550 11.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12226 ATOM 12222 HW1 SOL 3550 33.160 12.180 11.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12227 ATOM 12223 HW2 SOL 3550 32.880 11.680 10.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12228 ATOM 12224 OW SOL 3551 27.430 1.070 13.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12229 ATOM 12225 HW1 SOL 3551 27.880 0.960 12.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12230 ATOM 12226 HW2 SOL 3551 28.050 1.530 14.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12231 ATOM 12227 OW SOL 3552 26.550 10.080 17.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12232 ATOM 12228 HW1 SOL 3552 25.840 10.780 17.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12233 ATOM 12229 HW2 SOL 3552 26.460 9.560 16.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12234 ATOM 12230 OW SOL 3553 25.350 10.260 4.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12235 ATOM 12231 HW1 SOL 3553 25.040 10.060 5.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12236 ATOM 12232 HW2 SOL 3553 26.150 9.700 4.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12237 ATOM 12233 OW SOL 3554 22.460 7.890 13.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12238 ATOM 12234 HW1 SOL 3554 23.050 8.430 14.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12239 ATOM 12235 HW2 SOL 3554 22.400 6.960 14.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12240 ATOM 12236 OW SOL 3555 30.240 3.950 12.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12241 ATOM 12237 HW1 SOL 3555 30.880 4.710 12.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12242 ATOM 12238 HW2 SOL 3555 29.420 4.200 12.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12243 ATOM 12239 OW SOL 3556 19.610 16.730 14.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12244 ATOM 12240 HW1 SOL 3556 20.340 16.310 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12245 ATOM 12241 HW2 SOL 3556 19.870 17.670 14.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12246 ATOM 12242 OW SOL 3557 19.830 11.100 5.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12247 ATOM 12243 HW1 SOL 3557 19.280 11.880 6.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12248 ATOM 12244 HW2 SOL 3557 20.450 11.390 5.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12249 ATOM 12245 OW SOL 3558 24.720 3.330 11.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12250 ATOM 12246 HW1 SOL 3558 25.000 4.270 11.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12251 ATOM 12247 HW2 SOL 3558 25.450 2.840 11.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12252 ATOM 12248 OW SOL 3559 29.650 13.750 4.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12253 ATOM 12249 HW1 SOL 3559 30.310 14.500 4.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12254 ATOM 12250 HW2 SOL 3559 28.770 14.110 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12255 ATOM 12251 OW SOL 3560 32.020 16.440 11.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12256 ATOM 12252 HW1 SOL 3560 32.700 16.480 11.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12257 ATOM 12253 HW2 SOL 3560 31.180 16.040 11.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12258 ATOM 12254 OW SOL 3561 34.210 9.710 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12259 ATOM 12255 HW1 SOL 3561 35.170 9.840 1.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12260 ATOM 12256 HW2 SOL 3561 33.650 10.410 2.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12261 ATOM 12257 OW SOL 3562 21.480 15.890 12.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12262 ATOM 12258 HW1 SOL 3562 21.240 15.110 12.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12263 ATOM 12259 HW2 SOL 3562 22.460 15.860 13.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12264 ATOM 12260 OW SOL 3563 21.150 4.420 16.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12265 ATOM 12261 HW1 SOL 3563 21.650 5.260 16.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12266 ATOM 12262 HW2 SOL 3563 21.790 3.710 16.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12267 ATOM 12263 OW SOL 3564 33.930 7.640 15.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12268 ATOM 12264 HW1 SOL 3564 33.290 8.140 16.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12269 ATOM 12265 HW2 SOL 3564 34.760 8.190 15.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12270 ATOM 12266 OW SOL 3565 28.350 71.640 16.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12271 ATOM 12267 HW1 SOL 3565 27.550 71.140 17.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12272 ATOM 12268 HW2 SOL 3565 29.150 71.410 17.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12273 ATOM 12269 OW SOL 3566 23.790 72.190 19.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12274 ATOM 12270 HW1 SOL 3566 23.280 72.310 19.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12275 ATOM 12271 HW2 SOL 3566 23.150 71.990 18.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12276 ATOM 12272 OW SOL 3567 23.200 8.530 11.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12277 ATOM 12273 HW1 SOL 3567 22.630 9.260 10.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12278 ATOM 12274 HW2 SOL 3567 23.170 8.580 12.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12279 ATOM 12275 OW SOL 3568 30.140 10.960 10.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12280 ATOM 12276 HW1 SOL 3568 30.230 9.970 10.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12281 ATOM 12277 HW2 SOL 3568 29.230 11.190 9.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12282 ATOM 12278 OW SOL 3569 28.770 2.970 1.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12283 ATOM 12279 HW1 SOL 3569 29.460 2.340 1.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12284 ATOM 12280 HW2 SOL 3569 28.140 3.240 2.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12285 ATOM 12281 OW SOL 3570 21.050 1.770 12.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12286 ATOM 12282 HW1 SOL 3570 20.820 1.720 13.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12287 ATOM 12283 HW2 SOL 3570 21.890 1.260 12.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12288 ATOM 12284 OW SOL 3571 17.650 14.900 11.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12289 ATOM 12285 HW1 SOL 3571 17.410 14.280 12.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12290 ATOM 12286 HW2 SOL 3571 17.960 15.770 11.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12291 ATOM 12287 OW SOL 3572 25.530 7.410 10.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12292 ATOM 12288 HW1 SOL 3572 25.600 6.770 9.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12293 ATOM 12289 HW2 SOL 3572 24.650 7.880 10.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12294 ATOM 12290 OW SOL 3573 33.700 10.920 16.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12295 ATOM 12291 HW1 SOL 3573 34.400 10.450 15.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12296 ATOM 12292 HW2 SOL 3573 33.810 10.710 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12297 ATOM 12293 OW SOL 3574 21.780 1.560 7.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12298 ATOM 12294 HW1 SOL 3574 22.740 1.840 7.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12299 ATOM 12295 HW2 SOL 3574 21.620 1.000 7.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12300 ATOM 12296 OW SOL 3575 33.050 7.080 2.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12301 ATOM 12297 HW1 SOL 3575 32.330 7.180 3.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12302 ATOM 12298 HW2 SOL 3575 33.540 7.950 2.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12303 ATOM 12299 OW SOL 3576 29.130 8.480 10.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12304 ATOM 12300 HW1 SOL 3576 29.300 8.130 11.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12305 ATOM 12301 HW2 SOL 3576 28.730 7.760 9.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12306 ATOM 12302 OW SOL 3577 27.340 14.080 15.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12307 ATOM 12303 HW1 SOL 3577 27.620 14.970 15.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12308 ATOM 12304 HW2 SOL 3577 27.530 13.360 14.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12309 ATOM 12305 OW SOL 3578 36.860 15.010 16.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12310 ATOM 12306 HW1 SOL 3578 37.320 15.010 15.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12311 ATOM 12307 HW2 SOL 3578 37.490 14.680 16.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12312 ATOM 12308 OW SOL 3579 19.830 8.130 17.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12313 ATOM 12309 HW1 SOL 3579 20.700 8.600 17.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12314 ATOM 12310 HW2 SOL 3579 19.680 7.430 18.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12315 ATOM 12311 OW SOL 3580 29.730 5.160 72.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12316 ATOM 12312 HW1 SOL 3580 30.560 5.660 72.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12317 ATOM 12313 HW2 SOL 3580 29.600 4.430 73.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12318 ATOM 12314 OW SOL 3581 30.980 9.690 71.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12319 ATOM 12315 HW1 SOL 3581 30.760 9.980 70.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12320 ATOM 12316 HW2 SOL 3581 30.470 8.870 72.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12321 ATOM 12317 OW SOL 3582 29.530 14.010 9.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12322 ATOM 12318 HW1 SOL 3582 28.890 13.300 9.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12323 ATOM 12319 HW2 SOL 3582 29.890 14.470 8.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12324 ATOM 12320 OW SOL 3583 21.090 6.540 10.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12325 ATOM 12321 HW1 SOL 3583 21.970 7.020 10.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12326 ATOM 12322 HW2 SOL 3583 21.000 5.920 10.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12327 ATOM 12323 OW SOL 3584 20.640 4.680 12.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12328 ATOM 12324 HW1 SOL 3584 20.310 3.870 11.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12329 ATOM 12325 HW2 SOL 3584 21.230 4.400 12.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12330 ATOM 12326 OW SOL 3585 30.090 4.030 16.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12331 ATOM 12327 HW1 SOL 3585 29.320 3.980 17.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12332 ATOM 12328 HW2 SOL 3585 30.660 4.810 17.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12333 ATOM 12329 OW SOL 3586 28.890 3.020 14.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12334 ATOM 12330 HW1 SOL 3586 29.330 3.630 15.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12335 ATOM 12331 HW2 SOL 3586 29.080 3.340 13.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12336 ATOM 12332 OW SOL 3587 18.850 10.470 2.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12337 ATOM 12333 HW1 SOL 3587 17.910 10.350 2.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12338 ATOM 12334 HW2 SOL 3587 19.380 9.640 2.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12339 ATOM 12335 OW SOL 3588 18.970 17.810 8.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12340 ATOM 12336 HW1 SOL 3588 18.540 17.090 8.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12341 ATOM 12337 HW2 SOL 3588 19.950 17.850 8.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12342 ATOM 12338 OW SOL 3589 23.910 16.110 8.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12343 ATOM 12339 HW1 SOL 3589 24.900 16.190 8.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12344 ATOM 12340 HW2 SOL 3589 23.660 15.140 8.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12345 ATOM 12341 OW SOL 3590 27.470 9.860 12.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12346 ATOM 12342 HW1 SOL 3590 27.270 9.090 12.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12347 ATOM 12343 HW2 SOL 3590 27.860 9.530 11.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12348 ATOM 12344 OW SOL 3591 18.860 6.850 12.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12349 ATOM 12345 HW1 SOL 3591 19.160 5.980 12.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12350 ATOM 12346 HW2 SOL 3591 18.980 6.820 13.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12351 ATOM 12347 OW SOL 3592 16.430 6.040 18.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12352 ATOM 12348 HW1 SOL 3592 16.770 6.160 17.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12353 ATOM 12349 HW2 SOL 3592 16.180 5.080 18.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12354 ATOM 12350 OW SOL 3593 31.120 9.860 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12355 ATOM 12351 HW1 SOL 3593 30.310 10.430 16.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12356 ATOM 12352 HW2 SOL 3593 31.590 9.740 16.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12357 ATOM 12353 OW SOL 3594 27.390 5.680 4.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12358 ATOM 12354 HW1 SOL 3594 27.030 4.770 3.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12359 ATOM 12355 HW2 SOL 3594 26.710 6.180 4.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12360 ATOM 12356 OW SOL 3595 34.440 5.860 9.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12361 ATOM 12357 HW1 SOL 3595 34.590 6.490 9.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12362 ATOM 12358 HW2 SOL 3595 35.320 5.550 10.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12363 ATOM 12359 OW SOL 3596 20.740 17.030 17.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12364 ATOM 12360 HW1 SOL 3596 20.200 16.210 17.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12365 ATOM 12361 HW2 SOL 3596 20.300 17.820 18.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12366 ATOM 12362 OW SOL 3597 25.920 5.640 12.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12367 ATOM 12363 HW1 SOL 3597 26.400 5.830 13.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12368 ATOM 12364 HW2 SOL 3597 25.670 6.500 11.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12369 ATOM 12365 OW SOL 3598 28.010 15.950 13.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12370 ATOM 12366 HW1 SOL 3598 27.350 15.600 13.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12371 ATOM 12367 HW2 SOL 3598 28.050 16.950 13.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12372 ATOM 12368 OW SOL 3599 22.390 5.100 72.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12373 ATOM 12369 HW1 SOL 3599 22.930 5.650 71.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12374 ATOM 12370 HW2 SOL 3599 21.420 5.300 72.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12375 ATOM 12371 OW SOL 3600 19.250 11.260 13.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12376 ATOM 12372 HW1 SOL 3600 19.140 11.170 14.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12377 ATOM 12373 HW2 SOL 3600 19.540 10.380 13.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12378 ATOM 12374 OW SOL 3601 30.370 11.640 12.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12379 ATOM 12375 HW1 SOL 3601 30.450 11.460 11.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12380 ATOM 12376 HW2 SOL 3601 29.490 12.060 12.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12381 ATOM 12377 OW SOL 3602 30.780 8.010 4.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12382 ATOM 12378 HW1 SOL 3602 30.570 7.030 4.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12383 ATOM 12379 HW2 SOL 3602 30.280 8.460 4.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12384 ATOM 12380 OW SOL 3603 37.870 17.420 11.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12385 ATOM 12381 HW1 SOL 3603 37.960 17.220 10.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12386 ATOM 12382 HW2 SOL 3603 36.920 17.670 11.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12387 ATOM 12383 OW SOL 3604 32.640 18.680 9.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12388 ATOM 12384 HW1 SOL 3604 33.550 19.070 9.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12389 ATOM 12385 HW2 SOL 3604 32.720 17.910 9.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12390 ATOM 12386 OW SOL 3605 18.860 13.640 9.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12391 ATOM 12387 HW1 SOL 3605 18.430 14.140 10.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12392 ATOM 12388 HW2 SOL 3605 18.480 12.720 9.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12393 ATOM 12389 OW SOL 3606 26.670 15.300 17.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12394 ATOM 12390 HW1 SOL 3606 26.040 16.030 17.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12395 ATOM 12391 HW2 SOL 3606 26.870 14.760 16.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12396 ATOM 12392 OW SOL 3607 26.390 0.750 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12397 ATOM 12393 HW1 SOL 3607 26.420 -0.230 3.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12398 ATOM 12394 HW2 SOL 3607 26.070 0.910 2.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12399 ATOM 12395 OW SOL 3608 33.410 1.460 4.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12400 ATOM 12396 HW1 SOL 3608 33.140 2.340 5.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12401 ATOM 12397 HW2 SOL 3608 34.410 1.370 5.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12402 ATOM 12398 OW SOL 3609 31.800 15.310 4.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12403 ATOM 12399 HW1 SOL 3609 32.090 15.280 4.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12404 ATOM 12400 HW2 SOL 3609 32.610 15.330 5.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12405 ATOM 12401 OW SOL 3610 17.980 18.030 19.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12406 ATOM 12402 HW1 SOL 3610 18.030 17.200 19.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12407 ATOM 12403 HW2 SOL 3610 18.790 18.590 19.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12408 ATOM 12404 OW SOL 3611 32.700 7.110 6.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12409 ATOM 12405 HW1 SOL 3611 33.580 7.470 7.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12410 ATOM 12406 HW2 SOL 3611 32.340 7.660 5.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12411 ATOM 12407 OW SOL 3612 22.580 12.380 15.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12412 ATOM 12408 HW1 SOL 3612 23.230 13.140 15.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12413 ATOM 12409 HW2 SOL 3612 22.080 12.480 14.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12414 ATOM 12410 OW SOL 3613 22.930 15.240 2.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12415 ATOM 12411 HW1 SOL 3613 23.160 15.620 1.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12416 ATOM 12412 HW2 SOL 3613 23.090 14.250 2.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12417 ATOM 12413 OW SOL 3614 35.370 18.180 11.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12418 ATOM 12414 HW1 SOL 3614 35.720 18.600 10.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12419 ATOM 12415 HW2 SOL 3614 35.560 18.780 12.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12420 ATOM 12416 OW SOL 3615 33.970 1.650 7.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12421 ATOM 12417 HW1 SOL 3615 33.000 1.390 7.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12422 ATOM 12418 HW2 SOL 3615 34.180 2.160 8.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12423 ATOM 12419 OW SOL 3616 21.670 4.310 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12424 ATOM 12420 HW1 SOL 3616 20.760 4.040 8.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12425 ATOM 12421 HW2 SOL 3616 21.590 4.950 9.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12426 ATOM 12422 OW SOL 3617 28.620 15.310 1.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12427 ATOM 12423 HW1 SOL 3617 28.620 14.310 1.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12428 ATOM 12424 HW2 SOL 3617 28.990 15.660 0.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12429 ATOM 12425 OW SOL 3618 24.410 10.500 14.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12430 ATOM 12426 HW1 SOL 3618 24.710 10.940 13.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12431 ATOM 12427 HW2 SOL 3618 23.730 11.080 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12432 ATOM 12428 OW SOL 3619 27.310 8.780 3.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12433 ATOM 12429 HW1 SOL 3619 28.210 8.940 3.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12434 ATOM 12430 HW2 SOL 3619 27.200 7.800 3.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12435 ATOM 12431 OW SOL 3620 31.690 16.190 0.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12436 ATOM 12432 HW1 SOL 3620 31.040 15.690 0.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12437 ATOM 12433 HW2 SOL 3620 31.620 17.170 0.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12438 ATOM 12434 OW SOL 3621 22.110 13.080 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12439 ATOM 12435 HW1 SOL 3621 22.330 13.600 17.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12440 ATOM 12436 HW2 SOL 3621 22.190 12.100 17.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12441 ATOM 12437 OW SOL 3622 34.770 14.220 12.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12442 ATOM 12438 HW1 SOL 3622 34.060 13.700 13.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12443 ATOM 12439 HW2 SOL 3622 34.440 15.150 12.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12444 ATOM 12440 OW SOL 3623 27.890 11.840 9.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12445 ATOM 12441 HW1 SOL 3623 27.210 11.130 9.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12446 ATOM 12442 HW2 SOL 3623 27.640 12.360 8.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12447 ATOM 12443 OW SOL 3624 26.750 1.900 10.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12448 ATOM 12444 HW1 SOL 3624 26.440 1.610 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12449 ATOM 12445 HW2 SOL 3624 27.430 1.260 10.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12450 ATOM 12446 OW SOL 3625 24.240 13.930 5.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12451 ATOM 12447 HW1 SOL 3625 23.780 13.290 5.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12452 ATOM 12448 HW2 SOL 3625 23.860 14.850 5.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12453 ATOM 12449 OW SOL 3626 35.700 2.920 12.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12454 ATOM 12450 HW1 SOL 3626 35.600 3.490 13.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12455 ATOM 12451 HW2 SOL 3626 35.530 1.970 12.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12456 ATOM 12452 OW SOL 3627 20.760 12.360 3.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12457 ATOM 12453 HW1 SOL 3627 20.160 11.680 3.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12458 ATOM 12454 HW2 SOL 3627 20.200 13.120 3.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12459 ATOM 12455 OW SOL 3628 18.860 10.640 16.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12460 ATOM 12456 HW1 SOL 3628 18.810 11.250 17.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12461 ATOM 12457 HW2 SOL 3628 19.270 9.770 16.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12462 ATOM 12458 OW SOL 3629 25.380 1.250 15.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12463 ATOM 12459 HW1 SOL 3629 25.960 0.930 14.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12464 ATOM 12460 HW2 SOL 3629 25.920 1.830 16.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12465 ATOM 12461 OW SOL 3630 14.840 2.830 70.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12466 ATOM 12462 HW1 SOL 3630 15.490 3.420 70.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12467 ATOM 12463 HW2 SOL 3630 15.300 2.380 71.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12468 ATOM 12464 OW SOL 3631 31.420 9.740 14.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12469 ATOM 12465 HW1 SOL 3631 30.990 10.510 13.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12470 ATOM 12466 HW2 SOL 3631 32.390 9.710 13.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12471 ATOM 12467 OW SOL 3632 20.790 4.970 4.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12472 ATOM 12468 HW1 SOL 3632 21.490 5.150 5.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12473 ATOM 12469 HW2 SOL 3632 20.470 5.840 3.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12474 ATOM 12470 OW SOL 3633 29.400 12.090 2.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12475 ATOM 12471 HW1 SOL 3633 28.420 11.940 2.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12476 ATOM 12472 HW2 SOL 3633 29.510 12.480 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12477 ATOM 12473 OW SOL 3634 23.690 8.490 16.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12478 ATOM 12474 HW1 SOL 3634 24.570 8.950 16.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12479 ATOM 12475 HW2 SOL 3634 23.810 7.510 16.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12480 ATOM 12476 OW SOL 3635 34.560 20.000 7.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12481 ATOM 12477 HW1 SOL 3635 33.900 20.730 7.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12482 ATOM 12478 HW2 SOL 3635 34.620 19.400 6.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12483 ATOM 12479 OW SOL 3636 25.600 4.840 17.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12484 ATOM 12480 HW1 SOL 3636 25.820 5.410 17.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12485 ATOM 12481 HW2 SOL 3636 25.250 3.960 17.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12486 ATOM 12482 OW SOL 3637 31.550 13.660 16.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12487 ATOM 12483 HW1 SOL 3637 31.420 13.110 17.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12488 ATOM 12484 HW2 SOL 3637 32.520 13.840 16.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12489 ATOM 12485 OW SOL 3638 22.660 18.110 16.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12490 ATOM 12486 HW1 SOL 3638 21.990 18.330 15.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12491 ATOM 12487 HW2 SOL 3638 22.210 17.690 17.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12492 ATOM 12488 OW SOL 3639 34.010 9.960 13.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12493 ATOM 12489 HW1 SOL 3639 33.810 9.120 12.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12494 ATOM 12490 HW2 SOL 3639 33.940 10.750 12.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12495 ATOM 12491 OW SOL 3640 28.940 1.140 6.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12496 ATOM 12492 HW1 SOL 3640 29.090 1.100 5.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12497 ATOM 12493 HW2 SOL 3640 29.500 1.870 6.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12498 ATOM 12494 OW SOL 3641 25.210 6.910 5.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12499 ATOM 12495 HW1 SOL 3641 24.850 7.780 5.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12500 ATOM 12496 HW2 SOL 3641 24.780 6.680 4.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12501 ATOM 12497 OW SOL 3642 33.820 3.350 15.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12502 ATOM 12498 HW1 SOL 3642 33.290 2.870 14.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12503 ATOM 12499 HW2 SOL 3642 33.900 2.790 15.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12504 ATOM 12500 OW SOL 3643 35.860 9.340 15.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12505 ATOM 12501 HW1 SOL 3643 36.720 9.850 15.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12506 ATOM 12502 HW2 SOL 3643 35.280 9.690 14.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12507 ATOM 12503 OW SOL 3644 26.960 12.430 0.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12508 ATOM 12504 HW1 SOL 3644 26.610 12.370 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12509 ATOM 12505 HW2 SOL 3644 26.370 13.020 0.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12510 ATOM 12506 OW SOL 3645 26.530 16.180 9.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12511 ATOM 12507 HW1 SOL 3645 26.590 16.210 10.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12512 ATOM 12508 HW2 SOL 3645 27.240 16.770 8.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12513 ATOM 12509 OW SOL 3646 25.630 10.090 9.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12514 ATOM 12510 HW1 SOL 3646 25.840 9.160 9.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12515 ATOM 12511 HW2 SOL 3646 25.090 10.560 10.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12516 ATOM 12512 OW SOL 3647 29.940 9.240 2.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12517 ATOM 12513 HW1 SOL 3647 29.930 10.230 2.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12518 ATOM 12514 HW2 SOL 3647 29.810 8.780 1.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12519 ATOM 12515 OW SOL 3648 37.460 14.860 7.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12520 ATOM 12516 HW1 SOL 3648 37.010 14.540 8.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12521 ATOM 12517 HW2 SOL 3648 38.180 14.220 7.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12522 ATOM 12518 OW SOL 3649 19.100 14.760 18.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12523 ATOM 12519 HW1 SOL 3649 19.200 13.770 18.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12524 ATOM 12520 HW2 SOL 3649 18.650 15.010 19.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12525 ATOM 12521 OW SOL 3650 18.570 8.710 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12526 ATOM 12522 HW1 SOL 3650 19.160 9.260 6.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12527 ATOM 12523 HW2 SOL 3650 17.660 9.130 6.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12528 ATOM 12524 OW SOL 3651 24.280 14.350 15.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12529 ATOM 12525 HW1 SOL 3651 24.650 15.280 15.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12530 ATOM 12526 HW2 SOL 3651 24.930 13.730 16.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12531 ATOM 12527 OW SOL 3652 35.490 0.480 13.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12532 ATOM 12528 HW1 SOL 3652 35.800 -0.120 12.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12533 ATOM 12529 HW2 SOL 3652 34.780 0.030 14.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12534 ATOM 12530 OW SOL 3653 22.590 5.660 6.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12535 ATOM 12531 HW1 SOL 3653 23.580 5.600 6.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12536 ATOM 12532 HW2 SOL 3653 22.340 5.110 7.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12537 ATOM 12533 OW SOL 3654 35.820 14.360 9.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12538 ATOM 12534 HW1 SOL 3654 34.880 14.480 9.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12539 ATOM 12535 HW2 SOL 3654 35.820 14.170 10.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12540 ATOM 12536 OW SOL 3655 23.380 5.840 15.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12541 ATOM 12537 HW1 SOL 3655 24.040 5.380 16.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12542 ATOM 12538 HW2 SOL 3655 23.180 5.260 14.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12543 ATOM 12539 OW SOL 3656 27.020 14.000 7.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12544 ATOM 12540 HW1 SOL 3656 27.660 14.360 7.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12545 ATOM 12541 HW2 SOL 3656 26.810 14.710 8.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12546 ATOM 12542 OW SOL 3657 32.200 2.240 13.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12547 ATOM 12543 HW1 SOL 3657 32.150 1.360 12.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12548 ATOM 12544 HW2 SOL 3657 31.570 2.890 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12549 ATOM 12545 OW SOL 3658 28.880 0.610 11.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12550 ATOM 12546 HW1 SOL 3658 28.360 -0.250 11.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12551 ATOM 12547 HW2 SOL 3658 29.860 0.410 11.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12552 ATOM 12548 OW SOL 3659 26.540 12.400 3.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12553 ATOM 12549 HW1 SOL 3659 25.880 11.730 3.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12554 ATOM 12550 HW2 SOL 3659 26.570 13.180 3.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12555 ATOM 12551 OW SOL 3660 24.000 15.360 13.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12556 ATOM 12552 HW1 SOL 3660 24.110 15.220 14.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12557 ATOM 12553 HW2 SOL 3660 24.780 14.950 12.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12558 ATOM 12554 OW SOL 3661 30.440 0.790 1.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12559 ATOM 12555 HW1 SOL 3661 31.020 1.100 0.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12560 ATOM 12556 HW2 SOL 3661 29.930 -0.030 1.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12561 ATOM 12557 OW SOL 3662 30.360 2.920 7.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12562 ATOM 12558 HW1 SOL 3662 30.400 3.910 7.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12563 ATOM 12559 HW2 SOL 3662 30.510 2.610 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12564 ATOM 12560 OW SOL 3663 33.930 3.200 10.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12565 ATOM 12561 HW1 SOL 3663 34.680 2.970 10.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12566 ATOM 12562 HW2 SOL 3663 34.010 4.160 9.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12567 ATOM 12563 OW SOL 3664 19.910 7.810 1.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12568 ATOM 12564 HW1 SOL 3664 20.890 7.980 1.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12569 ATOM 12565 HW2 SOL 3664 19.780 7.350 2.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12570 ATOM 12566 OW SOL 3665 25.540 17.290 4.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12571 ATOM 12567 HW1 SOL 3665 24.560 17.210 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12572 ATOM 12568 HW2 SOL 3665 25.940 17.910 5.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12573 ATOM 12569 OW SOL 3666 19.950 6.590 19.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12574 ATOM 12570 HW1 SOL 3666 19.860 7.230 20.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12575 ATOM 12571 HW2 SOL 3666 19.550 5.710 19.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12576 ATOM 12572 OW SOL 3667 19.100 2.710 27.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12577 ATOM 12573 HW1 SOL 3667 19.270 2.020 28.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12578 ATOM 12574 HW2 SOL 3667 18.260 2.490 27.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12579 ATOM 12575 OW SOL 3668 19.040 5.000 23.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12580 ATOM 12576 HW1 SOL 3668 18.160 4.990 23.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12581 ATOM 12577 HW2 SOL 3668 18.910 4.730 22.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12582 ATOM 12578 OW SOL 3669 24.030 13.750 30.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12583 ATOM 12579 HW1 SOL 3669 23.060 13.990 30.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12584 ATOM 12580 HW2 SOL 3669 24.590 14.560 30.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12585 ATOM 12581 OW SOL 3670 34.220 14.850 24.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12586 ATOM 12582 HW1 SOL 3670 33.790 14.100 25.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12587 ATOM 12583 HW2 SOL 3670 33.860 14.890 24.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12588 ATOM 12584 OW SOL 3671 27.360 7.550 25.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12589 ATOM 12585 HW1 SOL 3671 27.200 7.300 24.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12590 ATOM 12586 HW2 SOL 3671 26.810 8.340 25.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12591 ATOM 12587 OW SOL 3672 34.770 6.360 19.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12592 ATOM 12588 HW1 SOL 3672 34.340 6.130 18.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12593 ATOM 12589 HW2 SOL 3672 35.160 5.530 19.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12594 ATOM 12590 OW SOL 3673 24.570 12.540 28.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12595 ATOM 12591 HW1 SOL 3673 24.270 12.820 29.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12596 ATOM 12592 HW2 SOL 3673 24.260 13.200 27.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12597 ATOM 12593 OW SOL 3674 27.860 7.180 36.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12598 ATOM 12594 HW1 SOL 3674 28.220 8.020 36.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12599 ATOM 12595 HW2 SOL 3674 27.970 7.220 35.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12600 ATOM 12596 OW SOL 3675 25.860 10.040 25.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12601 ATOM 12597 HW1 SOL 3675 26.240 10.230 25.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12602 ATOM 12598 HW2 SOL 3675 25.030 10.570 24.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12603 ATOM 12599 OW SOL 3676 25.390 11.570 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12604 ATOM 12600 HW1 SOL 3676 24.790 11.820 37.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12605 ATOM 12601 HW2 SOL 3676 25.430 12.330 35.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12606 ATOM 12602 OW SOL 3677 21.720 14.490 29.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12607 ATOM 12603 HW1 SOL 3677 21.330 13.600 29.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12608 ATOM 12604 HW2 SOL 3677 22.320 14.780 28.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12609 ATOM 12605 OW SOL 3678 31.680 16.010 31.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12610 ATOM 12606 HW1 SOL 3678 32.390 16.690 31.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12611 ATOM 12607 HW2 SOL 3678 31.180 16.280 32.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12612 ATOM 12608 OW SOL 3679 21.800 4.160 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12613 ATOM 12609 HW1 SOL 3679 22.470 3.540 32.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12614 ATOM 12610 HW2 SOL 3679 20.880 3.830 32.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12615 ATOM 12611 OW SOL 3680 36.740 5.220 25.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12616 ATOM 12612 HW1 SOL 3680 36.090 5.980 25.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12617 ATOM 12613 HW2 SOL 3680 37.440 5.370 26.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12618 ATOM 12614 OW SOL 3681 19.590 18.130 24.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12619 ATOM 12615 HW1 SOL 3681 20.220 18.880 24.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12620 ATOM 12616 HW2 SOL 3681 20.050 17.490 23.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12621 ATOM 12617 OW SOL 3682 28.820 12.730 38.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12622 ATOM 12618 HW1 SOL 3682 29.640 12.810 38.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12623 ATOM 12619 HW2 SOL 3682 28.800 11.820 37.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12624 ATOM 12620 OW SOL 3683 21.020 16.050 25.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12625 ATOM 12621 HW1 SOL 3683 20.540 16.790 25.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12626 ATOM 12622 HW2 SOL 3683 20.360 15.440 25.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12627 ATOM 12623 OW SOL 3684 21.180 11.090 26.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12628 ATOM 12624 HW1 SOL 3684 21.510 10.260 26.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12629 ATOM 12625 HW2 SOL 3684 20.870 11.730 26.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12630 ATOM 12626 OW SOL 3685 24.620 20.270 31.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12631 ATOM 12627 HW1 SOL 3685 24.090 19.810 32.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12632 ATOM 12628 HW2 SOL 3685 25.590 20.160 31.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12633 ATOM 12629 OW SOL 3686 24.120 10.030 20.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12634 ATOM 12630 HW1 SOL 3686 23.570 10.710 21.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12635 ATOM 12631 HW2 SOL 3686 25.020 9.970 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12636 ATOM 12632 OW SOL 3687 35.100 0.720 32.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12637 ATOM 12633 HW1 SOL 3687 34.600 1.570 31.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12638 ATOM 12634 HW2 SOL 3687 35.210 0.200 31.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12639 ATOM 12635 OW SOL 3688 20.730 6.970 24.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12640 ATOM 12636 HW1 SOL 3688 20.100 6.200 24.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12641 ATOM 12637 HW2 SOL 3688 20.490 7.430 25.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12642 ATOM 12638 OW SOL 3689 36.420 15.930 22.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12643 ATOM 12639 HW1 SOL 3689 37.170 15.450 22.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12644 ATOM 12640 HW2 SOL 3689 36.500 16.910 22.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12645 ATOM 12641 OW SOL 3690 18.080 15.810 20.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12646 ATOM 12642 HW1 SOL 3690 17.560 15.000 21.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12647 ATOM 12643 HW2 SOL 3690 17.900 16.550 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12648 ATOM 12644 OW SOL 3691 35.190 9.190 24.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12649 ATOM 12645 HW1 SOL 3691 36.170 9.050 24.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12650 ATOM 12646 HW2 SOL 3691 35.000 10.160 24.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12651 ATOM 12647 OW SOL 3692 34.700 11.540 21.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12652 ATOM 12648 HW1 SOL 3692 35.480 10.960 21.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12653 ATOM 12649 HW2 SOL 3692 34.850 12.000 22.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12654 ATOM 12650 OW SOL 3693 20.320 8.300 34.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12655 ATOM 12651 HW1 SOL 3693 20.430 9.260 35.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12656 ATOM 12652 HW2 SOL 3693 19.340 8.100 34.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12657 ATOM 12653 OW SOL 3694 24.980 14.010 25.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12658 ATOM 12654 HW1 SOL 3694 24.770 13.050 25.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12659 ATOM 12655 HW2 SOL 3694 25.270 14.460 25.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12660 ATOM 12656 OW SOL 3695 29.010 11.210 31.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12661 ATOM 12657 HW1 SOL 3695 29.670 10.680 31.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12662 ATOM 12658 HW2 SOL 3695 29.410 11.420 32.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12663 ATOM 12659 OW SOL 3696 29.250 71.760 23.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12664 ATOM 12660 HW1 SOL 3696 29.820 72.430 22.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12665 ATOM 12661 HW2 SOL 3696 29.260 70.900 22.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12666 ATOM 12662 OW SOL 3697 21.440 10.210 30.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12667 ATOM 12663 HW1 SOL 3697 22.180 9.790 31.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12668 ATOM 12664 HW2 SOL 3697 20.680 9.560 30.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12669 ATOM 12665 OW SOL 3698 33.180 10.160 18.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12670 ATOM 12666 HW1 SOL 3698 32.460 9.660 18.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12671 ATOM 12667 HW2 SOL 3698 33.770 9.510 19.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12672 ATOM 12668 OW SOL 3699 30.540 16.180 37.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12673 ATOM 12669 HW1 SOL 3699 29.600 15.860 37.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12674 ATOM 12670 HW2 SOL 3699 31.160 15.450 37.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12675 ATOM 12671 OW SOL 3700 23.990 4.600 36.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12676 ATOM 12672 HW1 SOL 3700 24.470 4.780 37.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12677 ATOM 12673 HW2 SOL 3700 23.490 5.410 36.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12678 ATOM 12674 OW SOL 3701 33.240 12.770 26.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12679 ATOM 12675 HW1 SOL 3701 33.370 13.220 27.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12680 ATOM 12676 HW2 SOL 3701 32.790 11.890 26.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12681 ATOM 12677 OW SOL 3702 33.630 17.810 25.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12682 ATOM 12678 HW1 SOL 3702 33.910 16.850 25.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12683 ATOM 12679 HW2 SOL 3702 32.780 17.870 25.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12684 ATOM 12680 OW SOL 3703 24.070 7.170 20.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12685 ATOM 12681 HW1 SOL 3703 23.890 8.150 20.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12686 ATOM 12682 HW2 SOL 3703 23.920 6.780 21.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12687 ATOM 12683 OW SOL 3704 32.010 4.510 25.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12688 ATOM 12684 HW1 SOL 3704 31.290 4.020 26.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12689 ATOM 12685 HW2 SOL 3704 32.850 3.970 25.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12690 ATOM 12686 OW SOL 3705 33.810 15.330 22.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12691 ATOM 12687 HW1 SOL 3705 34.760 15.630 22.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12692 ATOM 12688 HW2 SOL 3705 33.660 14.970 21.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12693 ATOM 12689 OW SOL 3706 25.230 4.720 33.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12694 ATOM 12690 HW1 SOL 3706 25.700 4.780 34.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12695 ATOM 12691 HW2 SOL 3706 24.710 3.870 33.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12696 ATOM 12692 OW SOL 3707 32.050 5.310 35.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12697 ATOM 12693 HW1 SOL 3707 32.100 5.720 36.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12698 ATOM 12694 HW2 SOL 3707 31.930 4.320 35.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12699 ATOM 12695 OW SOL 3708 27.910 7.350 33.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12700 ATOM 12696 HW1 SOL 3708 27.610 6.670 33.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12701 ATOM 12697 HW2 SOL 3708 27.810 8.270 33.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12702 ATOM 12698 OW SOL 3709 27.980 4.010 29.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12703 ATOM 12699 HW1 SOL 3709 27.020 4.010 29.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12704 ATOM 12700 HW2 SOL 3709 28.330 3.070 29.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12705 ATOM 12701 OW SOL 3710 29.530 4.570 22.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12706 ATOM 12702 HW1 SOL 3710 30.060 4.050 23.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12707 ATOM 12703 HW2 SOL 3710 28.560 4.380 22.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12708 ATOM 12704 OW SOL 3711 19.800 8.420 27.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12709 ATOM 12705 HW1 SOL 3711 20.740 8.670 27.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12710 ATOM 12706 HW2 SOL 3711 19.660 7.450 27.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12711 ATOM 12707 OW SOL 3712 20.210 20.270 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12712 ATOM 12708 HW1 SOL 3712 19.660 19.840 34.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12713 ATOM 12709 HW2 SOL 3712 20.100 19.780 33.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12714 ATOM 12710 OW SOL 3713 28.280 2.130 21.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12715 ATOM 12711 HW1 SOL 3713 28.430 2.850 20.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12716 ATOM 12712 HW2 SOL 3713 27.690 1.420 20.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12717 ATOM 12713 OW SOL 3714 35.380 7.180 36.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12718 ATOM 12714 HW1 SOL 3714 35.000 7.850 36.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12719 ATOM 12715 HW2 SOL 3714 35.310 6.260 36.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12720 ATOM 12716 OW SOL 3715 32.190 10.490 21.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12721 ATOM 12717 HW1 SOL 3715 33.120 10.840 21.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12722 ATOM 12718 HW2 SOL 3715 31.550 11.260 22.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12723 ATOM 12719 OW SOL 3716 22.100 2.690 26.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12724 ATOM 12720 HW1 SOL 3716 22.100 2.290 27.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12725 ATOM 12721 HW2 SOL 3716 21.150 2.790 26.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12726 ATOM 12722 OW SOL 3717 28.930 14.660 24.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12727 ATOM 12723 HW1 SOL 3717 29.620 15.050 23.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12728 ATOM 12724 HW2 SOL 3717 28.900 15.180 24.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12729 ATOM 12725 OW SOL 3718 20.900 18.610 27.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12730 ATOM 12726 HW1 SOL 3718 20.510 19.100 27.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12731 ATOM 12727 HW2 SOL 3718 21.590 19.180 28.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12732 ATOM 12728 OW SOL 3719 34.510 9.980 28.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12733 ATOM 12729 HW1 SOL 3719 34.890 9.060 28.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12734 ATOM 12730 HW2 SOL 3719 33.970 9.990 27.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12735 ATOM 12731 OW SOL 3720 30.680 16.830 34.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12736 ATOM 12732 HW1 SOL 3720 30.790 17.430 35.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12737 ATOM 12733 HW2 SOL 3720 29.710 16.810 34.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12738 ATOM 12734 OW SOL 3721 22.320 9.640 18.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12739 ATOM 12735 HW1 SOL 3721 22.990 9.870 19.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12740 ATOM 12736 HW2 SOL 3721 22.750 9.090 17.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12741 ATOM 12737 OW SOL 3722 34.530 7.070 25.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12742 ATOM 12738 HW1 SOL 3722 33.830 7.250 26.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12743 ATOM 12739 HW2 SOL 3722 34.800 7.920 25.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12744 ATOM 12740 OW SOL 3723 22.180 12.280 33.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12745 ATOM 12741 HW1 SOL 3723 22.110 11.510 34.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12746 ATOM 12742 HW2 SOL 3723 22.490 13.090 34.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12747 ATOM 12743 OW SOL 3724 30.260 17.090 20.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12748 ATOM 12744 HW1 SOL 3724 29.460 17.430 21.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12749 ATOM 12745 HW2 SOL 3724 29.960 16.640 19.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12750 ATOM 12746 OW SOL 3725 19.350 3.050 33.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12751 ATOM 12747 HW1 SOL 3725 18.640 3.310 34.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12752 ATOM 12748 HW2 SOL 3725 19.900 2.310 33.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12753 ATOM 12749 OW SOL 3726 32.830 14.720 19.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12754 ATOM 12750 HW1 SOL 3726 32.630 15.560 18.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12755 ATOM 12751 HW2 SOL 3726 32.050 14.100 19.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12756 ATOM 12752 OW SOL 3727 21.790 19.640 21.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12757 ATOM 12753 HW1 SOL 3727 22.040 19.820 22.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12758 ATOM 12754 HW2 SOL 3727 21.510 18.680 21.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12759 ATOM 12755 OW SOL 3728 34.040 1.670 22.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12760 ATOM 12756 HW1 SOL 3728 33.650 2.170 21.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12761 ATOM 12757 HW2 SOL 3728 34.650 0.950 21.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12762 ATOM 12758 OW SOL 3729 20.080 18.810 31.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12763 ATOM 12759 HW1 SOL 3729 20.720 18.050 31.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12764 ATOM 12760 HW2 SOL 3729 19.160 18.490 31.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12765 ATOM 12761 OW SOL 3730 26.450 16.700 29.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12766 ATOM 12762 HW1 SOL 3730 25.530 17.050 29.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12767 ATOM 12763 HW2 SOL 3730 26.850 16.370 28.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12768 ATOM 12764 OW SOL 3731 23.270 6.290 23.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12769 ATOM 12765 HW1 SOL 3731 23.420 5.320 23.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12770 ATOM 12766 HW2 SOL 3731 22.300 6.510 23.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12771 ATOM 12767 OW SOL 3732 31.880 2.630 34.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12772 ATOM 12768 HW1 SOL 3732 32.420 1.900 35.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12773 ATOM 12769 HW2 SOL 3732 31.640 2.380 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12774 ATOM 12770 OW SOL 3733 26.050 0.430 20.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12775 ATOM 12771 HW1 SOL 3733 26.430 -0.310 20.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12776 ATOM 12772 HW2 SOL 3733 25.240 0.110 19.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12777 ATOM 12773 OW SOL 3734 25.920 1.730 36.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12778 ATOM 12774 HW1 SOL 3734 26.530 1.970 37.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12779 ATOM 12775 HW2 SOL 3734 24.980 1.740 37.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12780 ATOM 12776 OW SOL 3735 26.430 15.300 31.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12781 ATOM 12777 HW1 SOL 3735 26.460 15.930 30.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12782 ATOM 12778 HW2 SOL 3735 26.660 14.380 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12783 ATOM 12779 OW SOL 3736 31.060 5.490 32.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12784 ATOM 12780 HW1 SOL 3736 31.370 5.240 33.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12785 ATOM 12781 HW2 SOL 3736 31.120 6.490 32.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12786 ATOM 12782 OW SOL 3737 27.090 15.210 27.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12787 ATOM 12783 HW1 SOL 3737 27.820 14.540 27.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12788 ATOM 12784 HW2 SOL 3737 26.350 14.790 26.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12789 ATOM 12785 OW SOL 3738 26.420 5.000 26.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12790 ATOM 12786 HW1 SOL 3738 26.140 4.140 25.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12791 ATOM 12787 HW2 SOL 3738 27.370 4.910 26.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12792 ATOM 12788 OW SOL 3739 24.500 0.390 22.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12793 ATOM 12789 HW1 SOL 3739 25.340 -0.160 22.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12794 ATOM 12790 HW2 SOL 3739 24.240 0.550 23.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12795 ATOM 12791 OW SOL 3740 31.370 12.160 19.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12796 ATOM 12792 HW1 SOL 3740 31.990 11.390 19.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12797 ATOM 12793 HW2 SOL 3740 30.760 12.170 19.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12798 ATOM 12794 OW SOL 3741 20.230 0.210 20.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12799 ATOM 12795 HW1 SOL 3741 20.210 0.840 19.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12800 ATOM 12796 HW2 SOL 3741 20.780 0.600 20.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12801 ATOM 12797 OW SOL 3742 30.630 1.090 21.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12802 ATOM 12798 HW1 SOL 3742 29.780 1.410 21.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12803 ATOM 12799 HW2 SOL 3742 31.010 1.810 22.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12804 ATOM 12800 OW SOL 3743 27.050 5.610 31.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12805 ATOM 12801 HW1 SOL 3743 26.530 4.930 32.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12806 ATOM 12802 HW2 SOL 3743 27.590 5.170 31.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12807 ATOM 12803 OW SOL 3744 29.270 16.690 26.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12808 ATOM 12804 HW1 SOL 3744 29.210 17.590 25.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12809 ATOM 12805 HW2 SOL 3744 28.350 16.370 26.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12810 ATOM 12806 OW SOL 3745 23.650 11.730 24.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12811 ATOM 12807 HW1 SOL 3745 22.770 11.690 25.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12812 ATOM 12808 HW2 SOL 3745 23.510 11.940 23.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12813 ATOM 12809 OW SOL 3746 28.390 18.470 24.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12814 ATOM 12810 HW1 SOL 3746 28.190 18.300 23.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12815 ATOM 12811 HW2 SOL 3746 27.540 18.680 25.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12816 ATOM 12812 OW SOL 3747 28.110 4.020 18.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12817 ATOM 12813 HW1 SOL 3747 27.410 4.720 18.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12818 ATOM 12814 HW2 SOL 3747 27.670 3.190 18.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12819 ATOM 12815 OW SOL 3748 20.070 6.200 32.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12820 ATOM 12816 HW1 SOL 3748 20.770 5.490 32.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12821 ATOM 12817 HW2 SOL 3748 20.100 6.790 33.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12822 ATOM 12818 OW SOL 3749 22.090 1.410 29.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12823 ATOM 12819 HW1 SOL 3749 22.850 1.980 29.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12824 ATOM 12820 HW2 SOL 3749 21.500 1.180 29.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12825 ATOM 12821 OW SOL 3750 26.360 2.670 24.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12826 ATOM 12822 HW1 SOL 3750 26.640 3.100 23.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12827 ATOM 12823 HW2 SOL 3750 26.720 1.740 24.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12828 ATOM 12824 OW SOL 3751 25.600 1.200 27.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12829 ATOM 12825 HW1 SOL 3751 25.700 0.840 26.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12830 ATOM 12826 HW2 SOL 3751 25.430 2.180 27.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12831 ATOM 12827 OW SOL 3752 32.150 10.220 26.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12832 ATOM 12828 HW1 SOL 3752 31.640 9.830 27.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12833 ATOM 12829 HW2 SOL 3752 31.740 9.930 25.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12834 ATOM 12830 OW SOL 3753 32.600 6.480 27.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12835 ATOM 12831 HW1 SOL 3753 32.170 6.040 26.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12836 ATOM 12832 HW2 SOL 3753 33.260 5.860 28.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12837 ATOM 12833 OW SOL 3754 35.040 8.530 20.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12838 ATOM 12834 HW1 SOL 3754 34.550 8.250 21.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12839 ATOM 12835 HW2 SOL 3754 35.110 7.750 20.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12840 ATOM 12836 OW SOL 3755 21.340 17.030 22.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12841 ATOM 12837 HW1 SOL 3755 22.000 16.940 22.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12842 ATOM 12838 HW2 SOL 3755 21.680 16.550 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12843 ATOM 12839 OW SOL 3756 34.940 12.110 24.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12844 ATOM 12840 HW1 SOL 3756 35.830 12.340 24.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12845 ATOM 12841 HW2 SOL 3756 34.240 12.140 25.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12846 ATOM 12842 OW SOL 3757 31.460 5.930 17.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12847 ATOM 12843 HW1 SOL 3757 31.330 5.450 18.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12848 ATOM 12844 HW2 SOL 3757 32.430 5.940 17.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12849 ATOM 12845 OW SOL 3758 24.870 2.940 20.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12850 ATOM 12846 HW1 SOL 3758 25.180 2.010 20.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12851 ATOM 12847 HW2 SOL 3758 24.240 3.240 20.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12852 ATOM 12848 OW SOL 3759 35.140 12.990 34.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12853 ATOM 12849 HW1 SOL 3759 35.220 12.290 35.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12854 ATOM 12850 HW2 SOL 3759 35.970 13.550 34.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12855 ATOM 12851 OW SOL 3760 27.300 12.890 30.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12856 ATOM 12852 HW1 SOL 3760 26.720 12.290 30.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12857 ATOM 12853 HW2 SOL 3760 27.950 12.330 31.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12858 ATOM 12854 OW SOL 3761 34.440 17.280 37.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12859 ATOM 12855 HW1 SOL 3761 34.660 16.790 36.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12860 ATOM 12856 HW2 SOL 3761 33.880 18.080 37.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12861 ATOM 12857 OW SOL 3762 29.350 13.750 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12862 ATOM 12858 HW1 SOL 3762 28.610 13.650 29.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12863 ATOM 12859 HW2 SOL 3762 29.040 13.430 28.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12864 ATOM 12860 OW SOL 3763 33.530 11.530 30.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12865 ATOM 12861 HW1 SOL 3763 34.250 11.510 31.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12866 ATOM 12862 HW2 SOL 3763 33.660 10.790 29.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12867 ATOM 12863 OW SOL 3764 26.520 2.440 32.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12868 ATOM 12864 HW1 SOL 3764 26.900 1.690 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12869 ATOM 12865 HW2 SOL 3764 27.270 3.010 32.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12870 ATOM 12866 OW SOL 3765 27.860 10.500 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12871 ATOM 12867 HW1 SOL 3765 27.020 10.880 36.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12872 ATOM 12868 HW2 SOL 3765 27.720 10.290 35.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12873 ATOM 12869 OW SOL 3766 26.380 9.690 22.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12874 ATOM 12870 HW1 SOL 3766 26.240 9.900 23.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12875 ATOM 12871 HW2 SOL 3766 26.690 8.740 22.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12876 ATOM 12872 OW SOL 3767 23.480 8.530 31.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12877 ATOM 12873 HW1 SOL 3767 23.710 8.050 31.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12878 ATOM 12874 HW2 SOL 3767 23.110 7.870 30.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12879 ATOM 12875 OW SOL 3768 30.940 3.650 30.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12880 ATOM 12876 HW1 SOL 3768 31.100 4.420 31.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12881 ATOM 12877 HW2 SOL 3768 30.070 3.770 30.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12882 ATOM 12878 OW SOL 3769 20.380 14.820 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12883 ATOM 12879 HW1 SOL 3769 20.950 15.580 33.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12884 ATOM 12880 HW2 SOL 3769 20.310 14.140 33.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12885 ATOM 12881 OW SOL 3770 22.820 12.160 21.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12886 ATOM 12882 HW1 SOL 3770 22.140 12.450 22.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12887 ATOM 12883 HW2 SOL 3770 23.040 12.930 21.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12888 ATOM 12884 OW SOL 3771 22.400 5.300 27.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12889 ATOM 12885 HW1 SOL 3771 23.090 5.820 27.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12890 ATOM 12886 HW2 SOL 3771 22.280 4.400 27.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12891 ATOM 12887 OW SOL 3772 30.390 12.690 21.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12892 ATOM 12888 HW1 SOL 3772 30.690 13.630 21.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12893 ATOM 12889 HW2 SOL 3772 29.580 12.520 22.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12894 ATOM 12890 OW SOL 3773 31.890 14.450 29.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12895 ATOM 12891 HW1 SOL 3773 31.790 14.780 30.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12896 ATOM 12892 HW2 SOL 3773 31.010 14.100 29.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12897 ATOM 12893 OW SOL 3774 33.360 5.760 22.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12898 ATOM 12894 HW1 SOL 3774 33.360 6.030 23.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12899 ATOM 12895 HW2 SOL 3774 32.790 6.400 22.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12900 ATOM 12896 OW SOL 3775 21.610 16.500 31.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12901 ATOM 12897 HW1 SOL 3775 21.460 15.870 31.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12902 ATOM 12898 HW2 SOL 3775 22.560 16.450 32.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12903 ATOM 12899 OW SOL 3776 25.490 8.580 35.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12904 ATOM 12900 HW1 SOL 3776 25.730 9.540 35.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12905 ATOM 12901 HW2 SOL 3776 26.280 8.000 35.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12906 ATOM 12902 OW SOL 3777 34.520 8.890 35.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12907 ATOM 12903 HW1 SOL 3777 33.590 9.230 34.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12908 ATOM 12904 HW2 SOL 3777 35.030 8.830 34.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12909 ATOM 12905 OW SOL 3778 29.900 0.260 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12910 ATOM 12906 HW1 SOL 3778 29.620 0.350 37.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12911 ATOM 12907 HW2 SOL 3778 29.320 -0.410 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12912 ATOM 12908 OW SOL 3779 21.990 2.570 36.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12913 ATOM 12909 HW1 SOL 3779 22.130 1.990 35.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12914 ATOM 12910 HW2 SOL 3779 22.550 3.390 36.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12915 ATOM 12911 OW SOL 3780 24.460 9.930 28.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12916 ATOM 12912 HW1 SOL 3780 24.460 10.900 28.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12917 ATOM 12913 HW2 SOL 3780 24.110 9.800 29.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12918 ATOM 12914 OW SOL 3781 30.800 8.630 28.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12919 ATOM 12915 HW1 SOL 3781 29.920 8.290 27.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12920 ATOM 12916 HW2 SOL 3781 31.450 7.870 28.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12921 ATOM 12917 OW SOL 3782 31.770 4.860 20.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12922 ATOM 12918 HW1 SOL 3782 32.520 4.730 21.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12923 ATOM 12919 HW2 SOL 3782 30.910 4.990 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12924 ATOM 12920 OW SOL 3783 19.750 1.230 30.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12925 ATOM 12921 HW1 SOL 3783 19.330 2.060 30.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12926 ATOM 12922 HW2 SOL 3783 19.470 0.440 30.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12927 ATOM 12923 OW SOL 3784 18.060 14.470 31.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12928 ATOM 12924 HW1 SOL 3784 17.590 13.830 31.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12929 ATOM 12925 HW2 SOL 3784 19.010 14.180 31.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12930 ATOM 12926 OW SOL 3785 25.680 4.620 28.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12931 ATOM 12927 HW1 SOL 3785 25.730 4.530 27.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12932 ATOM 12928 HW2 SOL 3785 25.640 5.590 29.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12933 ATOM 12929 OW SOL 3786 35.580 10.720 36.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12934 ATOM 12930 HW1 SOL 3786 35.220 10.060 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12935 ATOM 12931 HW2 SOL 3786 36.070 10.230 37.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12936 ATOM 12932 OW SOL 3787 22.150 1.200 21.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12937 ATOM 12933 HW1 SOL 3787 21.800 1.960 22.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12938 ATOM 12934 HW2 SOL 3787 23.070 0.970 22.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12939 ATOM 12935 OW SOL 3788 36.200 4.270 20.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12940 ATOM 12936 HW1 SOL 3788 36.540 3.420 20.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12941 ATOM 12937 HW2 SOL 3788 36.340 4.260 21.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12942 ATOM 12938 OW SOL 3789 28.140 7.810 27.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12943 ATOM 12939 HW1 SOL 3789 27.550 7.590 28.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12944 ATOM 12940 HW2 SOL 3789 28.000 7.130 27.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12945 ATOM 12941 OW SOL 3790 28.420 13.930 34.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12946 ATOM 12942 HW1 SOL 3790 28.330 14.820 33.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12947 ATOM 12943 HW2 SOL 3790 27.530 13.460 34.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12948 ATOM 12944 OW SOL 3791 37.420 14.200 34.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12949 ATOM 12945 HW1 SOL 3791 37.550 14.610 33.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12950 ATOM 12946 HW2 SOL 3791 38.240 13.670 34.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12951 ATOM 12947 OW SOL 3792 23.340 9.020 37.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12952 ATOM 12948 HW1 SOL 3792 23.630 9.920 38.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12953 ATOM 12949 HW2 SOL 3792 24.030 8.660 37.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12954 ATOM 12950 OW SOL 3793 34.090 2.420 17.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12955 ATOM 12951 HW1 SOL 3793 33.670 2.110 18.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12956 ATOM 12952 HW2 SOL 3793 35.080 2.510 17.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12957 ATOM 12953 OW SOL 3794 29.970 8.100 18.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12958 ATOM 12954 HW1 SOL 3794 30.430 7.300 18.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12959 ATOM 12955 HW2 SOL 3794 30.220 8.910 18.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12960 ATOM 12956 OW SOL 3795 28.640 12.970 26.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12961 ATOM 12957 HW1 SOL 3795 28.160 12.090 26.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12962 ATOM 12958 HW2 SOL 3795 28.860 13.190 25.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12963 ATOM 12959 OW SOL 3796 22.360 8.870 27.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12964 ATOM 12960 HW1 SOL 3796 23.110 9.330 27.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12965 ATOM 12961 HW2 SOL 3796 22.700 8.060 26.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12966 ATOM 12962 OW SOL 3797 19.690 5.530 27.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12967 ATOM 12963 HW1 SOL 3797 19.230 4.640 27.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12968 ATOM 12964 HW2 SOL 3797 20.650 5.420 27.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12969 ATOM 12965 OW SOL 3798 28.910 3.560 33.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12970 ATOM 12966 HW1 SOL 3798 28.220 3.650 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12971 ATOM 12967 HW2 SOL 3798 29.520 4.350 33.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12972 ATOM 12968 OW SOL 3799 30.720 1.700 32.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12973 ATOM 12969 HW1 SOL 3799 29.900 1.990 33.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12974 ATOM 12970 HW2 SOL 3799 30.870 2.300 31.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12975 ATOM 12971 OW SOL 3800 19.760 13.250 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12976 ATOM 12972 HW1 SOL 3800 18.840 13.570 21.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12977 ATOM 12973 HW2 SOL 3800 19.840 12.280 21.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12978 ATOM 12974 OW SOL 3801 18.860 16.880 28.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12979 ATOM 12975 HW1 SOL 3801 18.990 16.010 27.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12980 ATOM 12976 HW2 SOL 3801 19.550 17.530 28.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12981 ATOM 12977 OW SOL 3802 23.090 15.310 27.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12982 ATOM 12978 HW1 SOL 3802 23.750 14.810 26.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12983 ATOM 12979 HW2 SOL 3802 22.270 15.500 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12984 ATOM 12980 OW SOL 3803 25.940 7.320 29.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12985 ATOM 12981 HW1 SOL 3803 26.080 7.030 30.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12986 ATOM 12982 HW2 SOL 3803 25.040 7.760 29.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12987 ATOM 12983 OW SOL 3804 18.810 5.530 30.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12988 ATOM 12984 HW1 SOL 3804 19.180 5.610 29.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12989 ATOM 12985 HW2 SOL 3804 19.540 5.640 31.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12990 ATOM 12986 OW SOL 3805 22.700 6.520 35.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12991 ATOM 12987 HW1 SOL 3805 23.320 6.650 34.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12992 ATOM 12988 HW2 SOL 3805 21.980 7.220 35.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12993 ATOM 12989 OW SOL 3806 31.850 9.240 34.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12994 ATOM 12990 HW1 SOL 3806 31.280 10.060 34.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12995 ATOM 12991 HW2 SOL 3806 31.400 8.570 34.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12996 ATOM 12992 OW SOL 3807 26.870 4.370 22.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12997 ATOM 12993 HW1 SOL 3807 26.250 3.990 21.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12998 ATOM 12994 HW2 SOL 3807 27.070 5.330 22.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
12999 ATOM 12995 OW SOL 3808 34.830 5.370 28.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13000 ATOM 12996 HW1 SOL 3808 35.270 4.540 29.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13001 ATOM 12997 HW2 SOL 3808 35.500 6.110 28.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13002 ATOM 12998 OW SOL 3809 22.650 17.150 35.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13003 ATOM 12999 HW1 SOL 3809 21.650 17.190 35.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13004 ATOM 13000 HW2 SOL 3809 23.010 17.590 36.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13005 ATOM 13001 OW SOL 3810 24.040 2.970 30.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13006 ATOM 13002 HW1 SOL 3810 23.590 3.190 30.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13007 ATOM 13003 HW2 SOL 3810 24.600 3.750 29.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13008 ATOM 13004 OW SOL 3811 28.250 16.540 33.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13009 ATOM 13005 HW1 SOL 3811 27.630 16.170 32.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13010 ATOM 13006 HW2 SOL 3811 28.540 17.460 32.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13011 ATOM 13007 OW SOL 3812 22.470 5.840 18.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13012 ATOM 13008 HW1 SOL 3812 23.040 6.370 19.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13013 ATOM 13009 HW2 SOL 3812 21.510 6.090 18.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13014 ATOM 13010 OW SOL 3813 20.180 12.440 32.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13015 ATOM 13011 HW1 SOL 3813 20.970 12.430 32.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13016 ATOM 13012 HW2 SOL 3813 20.270 11.710 31.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13017 ATOM 13013 OW SOL 3814 31.160 10.050 30.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13018 ATOM 13014 HW1 SOL 3814 30.870 9.650 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13019 ATOM 13015 HW2 SOL 3814 31.880 10.720 30.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13020 ATOM 13016 OW SOL 3815 32.030 7.660 21.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13021 ATOM 13017 HW1 SOL 3815 31.740 8.600 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13022 ATOM 13018 HW2 SOL 3815 32.000 7.140 20.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13023 ATOM 13019 OW SOL 3816 33.600 17.920 31.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13024 ATOM 13020 HW1 SOL 3816 33.540 17.970 30.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13025 ATOM 13021 HW2 SOL 3816 34.310 17.260 31.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13026 ATOM 13022 OW SOL 3817 31.820 16.640 27.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13027 ATOM 13023 HW1 SOL 3817 31.020 16.630 26.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13028 ATOM 13024 HW2 SOL 3817 31.750 15.910 28.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13029 ATOM 13025 OW SOL 3818 20.630 12.050 28.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13030 ATOM 13026 HW1 SOL 3818 19.630 11.980 28.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13031 ATOM 13027 HW2 SOL 3818 21.060 11.400 29.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13032 ATOM 13028 OW SOL 3819 26.590 16.770 37.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13033 ATOM 13029 HW1 SOL 3819 26.390 17.300 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13034 ATOM 13030 HW2 SOL 3819 27.020 15.900 37.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13035 ATOM 13031 OW SOL 3820 35.820 0.030 20.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13036 ATOM 13032 HW1 SOL 3820 36.100 0.700 19.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13037 ATOM 13033 HW2 SOL 3820 36.630 -0.330 21.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13038 ATOM 13034 OW SOL 3821 31.130 15.330 22.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13039 ATOM 13035 HW1 SOL 3821 32.130 15.290 22.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13040 ATOM 13036 HW2 SOL 3821 30.820 16.060 21.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13041 ATOM 13037 OW SOL 3822 18.320 19.050 35.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13042 ATOM 13038 HW1 SOL 3822 18.000 18.230 35.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13043 ATOM 13039 HW2 SOL 3822 18.010 19.050 36.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13044 ATOM 13040 OW SOL 3823 31.280 8.800 24.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13045 ATOM 13041 HW1 SOL 3823 30.760 7.950 24.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13046 ATOM 13042 HW2 SOL 3823 31.920 8.700 23.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13047 ATOM 13043 OW SOL 3824 24.390 10.780 32.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13048 ATOM 13044 HW1 SOL 3824 23.560 11.260 32.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13049 ATOM 13045 HW2 SOL 3824 24.150 9.980 31.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13050 ATOM 13046 OW SOL 3825 26.120 16.490 20.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13051 ATOM 13047 HW1 SOL 3825 26.260 16.160 19.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13052 ATOM 13048 HW2 SOL 3825 25.510 17.290 20.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13053 ATOM 13049 OW SOL 3826 33.090 17.780 33.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13054 ATOM 13050 HW1 SOL 3826 33.280 17.620 32.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13055 ATOM 13051 HW2 SOL 3826 32.160 17.470 34.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13056 ATOM 13052 OW SOL 3827 37.280 2.100 26.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13057 ATOM 13053 HW1 SOL 3827 37.470 1.120 26.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13058 ATOM 13054 HW2 SOL 3827 36.350 2.280 27.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13059 ATOM 13055 OW SOL 3828 21.190 3.010 23.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13060 ATOM 13056 HW1 SOL 3828 20.620 3.650 23.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13061 ATOM 13057 HW2 SOL 3828 22.150 3.270 23.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13062 ATOM 13058 OW SOL 3829 29.370 16.150 18.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13063 ATOM 13059 HW1 SOL 3829 28.370 16.120 18.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13064 ATOM 13060 HW2 SOL 3829 29.680 15.370 17.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13065 ATOM 13061 OW SOL 3830 27.070 10.070 33.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13066 ATOM 13062 HW1 SOL 3830 27.740 10.750 33.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13067 ATOM 13063 HW2 SOL 3830 26.150 10.410 33.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13068 ATOM 13064 OW SOL 3831 27.820 6.910 22.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13069 ATOM 13065 HW1 SOL 3831 27.720 7.430 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13070 ATOM 13066 HW2 SOL 3831 28.770 6.620 22.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13071 ATOM 13067 OW SOL 3832 32.570 16.750 17.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13072 ATOM 13068 HW1 SOL 3832 31.860 16.280 16.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13073 ATOM 13069 HW2 SOL 3832 33.440 16.690 16.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13074 ATOM 13070 OW SOL 3833 23.540 14.140 35.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13075 ATOM 13071 HW1 SOL 3833 23.320 14.270 36.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13076 ATOM 13072 HW2 SOL 3833 23.510 15.020 34.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13077 ATOM 13073 OW SOL 3834 33.020 13.550 32.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13078 ATOM 13074 HW1 SOL 3834 32.420 14.270 32.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13079 ATOM 13075 HW2 SOL 3834 33.190 12.870 31.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13080 ATOM 13076 OW SOL 3835 28.880 10.370 24.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13081 ATOM 13077 HW1 SOL 3835 29.860 10.400 24.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13082 ATOM 13078 HW2 SOL 3835 28.610 9.420 25.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13083 ATOM 13079 OW SOL 3836 29.120 4.340 26.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13084 ATOM 13080 HW1 SOL 3836 28.920 3.400 26.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13085 ATOM 13081 HW2 SOL 3836 28.740 4.500 27.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13086 ATOM 13082 OW SOL 3837 26.050 14.640 23.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13087 ATOM 13083 HW1 SOL 3837 27.000 14.350 23.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13088 ATOM 13084 HW2 SOL 3837 25.730 15.030 22.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13089 ATOM 13085 OW SOL 3838 36.430 4.270 30.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13090 ATOM 13086 HW1 SOL 3838 36.930 5.110 30.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13091 ATOM 13087 HW2 SOL 3838 37.050 3.490 30.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13092 ATOM 13088 OW SOL 3839 21.560 13.830 23.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13093 ATOM 13089 HW1 SOL 3839 21.080 14.150 22.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13094 ATOM 13090 HW2 SOL 3839 21.540 14.540 24.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13095 ATOM 13091 OW SOL 3840 21.780 10.440 35.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13096 ATOM 13092 HW1 SOL 3840 21.600 11.180 36.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13097 ATOM 13093 HW2 SOL 3840 22.110 9.640 36.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13098 ATOM 13094 OW SOL 3841 23.780 2.260 32.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13099 ATOM 13095 HW1 SOL 3841 24.720 2.140 32.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13100 ATOM 13096 HW2 SOL 3841 23.290 1.390 32.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13101 ATOM 13097 OW SOL 3842 19.940 2.520 18.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13102 ATOM 13098 HW1 SOL 3842 19.240 2.090 17.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13103 ATOM 13099 HW2 SOL 3842 20.270 3.360 17.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13104 ATOM 13100 OW SOL 3843 31.250 8.040 32.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13105 ATOM 13101 HW1 SOL 3843 30.860 8.800 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13106 ATOM 13102 HW2 SOL 3843 32.210 7.940 32.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13107 ATOM 13103 OW SOL 3844 18.260 3.360 20.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13108 ATOM 13104 HW1 SOL 3844 17.440 3.350 19.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13109 ATOM 13105 HW2 SOL 3844 19.010 2.930 20.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13110 ATOM 13106 OW SOL 3845 27.940 12.360 18.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13111 ATOM 13107 HW1 SOL 3845 27.320 11.590 18.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13112 ATOM 13108 HW2 SOL 3845 27.540 13.100 18.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13113 ATOM 13109 OW SOL 3846 24.530 7.260 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13114 ATOM 13110 HW1 SOL 3846 24.830 7.630 34.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13115 ATOM 13111 HW2 SOL 3846 24.950 6.360 33.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13116 ATOM 13112 OW SOL 3847 31.050 18.990 24.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13117 ATOM 13113 HW1 SOL 3847 31.500 18.970 24.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13118 ATOM 13114 HW2 SOL 3847 30.100 18.700 24.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13119 ATOM 13115 OW SOL 3848 27.140 3.910 35.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13120 ATOM 13116 HW1 SOL 3848 27.450 4.670 36.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13121 ATOM 13117 HW2 SOL 3848 26.800 3.180 36.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13122 ATOM 13118 OW SOL 3849 30.340 11.740 34.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13123 ATOM 13119 HW1 SOL 3849 29.800 12.420 34.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13124 ATOM 13120 HW2 SOL 3849 31.070 12.190 33.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13125 ATOM 13121 OW SOL 3850 23.060 19.760 34.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13126 ATOM 13122 HW1 SOL 3850 22.140 20.110 34.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13127 ATOM 13123 HW2 SOL 3850 23.080 18.780 34.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13128 ATOM 13124 OW SOL 3851 33.840 7.410 31.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13129 ATOM 13125 HW1 SOL 3851 33.970 6.460 31.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13130 ATOM 13126 HW2 SOL 3851 33.860 7.460 30.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13131 ATOM 13127 OW SOL 3852 31.900 2.910 23.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13132 ATOM 13128 HW1 SOL 3852 32.690 2.310 23.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13133 ATOM 13129 HW2 SOL 3852 32.210 3.860 23.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13134 ATOM 13130 OW SOL 3853 24.010 6.290 25.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13135 ATOM 13131 HW1 SOL 3853 24.920 5.870 25.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13136 ATOM 13132 HW2 SOL 3853 23.910 6.740 24.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13137 ATOM 13133 OW SOL 3854 35.000 4.570 35.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13138 ATOM 13134 HW1 SOL 3854 35.120 4.160 34.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13139 ATOM 13135 HW2 SOL 3854 34.050 4.860 35.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13140 ATOM 13136 OW SOL 3855 35.500 8.980 32.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13141 ATOM 13137 HW1 SOL 3855 35.400 9.960 32.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13142 ATOM 13138 HW2 SOL 3855 34.940 8.460 32.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13143 ATOM 13139 OW SOL 3856 26.510 13.640 20.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13144 ATOM 13140 HW1 SOL 3856 27.010 13.090 21.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13145 ATOM 13141 HW2 SOL 3856 26.670 14.610 20.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13146 ATOM 13142 OW SOL 3857 23.970 17.480 28.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13147 ATOM 13143 HW1 SOL 3857 23.790 18.320 28.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13148 ATOM 13144 HW2 SOL 3857 23.750 16.690 28.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13149 ATOM 13145 OW SOL 3858 26.900 10.420 27.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13150 ATOM 13146 HW1 SOL 3858 26.140 10.290 28.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13151 ATOM 13147 HW2 SOL 3858 27.540 9.660 27.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13152 ATOM 13148 OW SOL 3859 27.550 8.520 20.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13153 ATOM 13149 HW1 SOL 3859 27.120 9.130 19.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13154 ATOM 13150 HW2 SOL 3859 28.520 8.410 19.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13155 ATOM 13151 OW SOL 3860 35.910 16.020 27.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13156 ATOM 13152 HW1 SOL 3860 35.530 15.760 26.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13157 ATOM 13153 HW2 SOL 3860 35.400 15.570 28.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13158 ATOM 13154 OW SOL 3861 22.380 15.660 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13159 ATOM 13155 HW1 SOL 3861 21.580 15.360 38.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13160 ATOM 13156 HW2 SOL 3861 22.540 16.630 38.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13161 ATOM 13157 OW SOL 3862 19.410 11.730 23.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13162 ATOM 13158 HW1 SOL 3862 20.130 11.280 24.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13163 ATOM 13159 HW2 SOL 3862 19.780 12.550 23.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13164 ATOM 13160 OW SOL 3863 25.710 13.100 33.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13165 ATOM 13161 HW1 SOL 3863 25.320 12.390 33.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13166 ATOM 13162 HW2 SOL 3863 25.010 13.800 33.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13167 ATOM 13163 OW SOL 3864 38.420 2.380 30.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13168 ATOM 13164 HW1 SOL 3864 38.440 2.050 31.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13169 ATOM 13165 HW2 SOL 3864 39.320 2.750 30.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13170 ATOM 13166 OW SOL 3865 23.710 3.540 23.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13171 ATOM 13167 HW1 SOL 3865 24.360 3.320 24.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13172 ATOM 13168 HW2 SOL 3865 24.180 3.580 22.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13173 ATOM 13169 OW SOL 3866 34.670 14.480 29.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13174 ATOM 13170 HW1 SOL 3866 33.680 14.560 29.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13175 ATOM 13171 HW2 SOL 3866 35.110 14.900 30.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13176 ATOM 13172 OW SOL 3867 22.390 6.030 30.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13177 ATOM 13173 HW1 SOL 3867 22.280 5.400 30.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13178 ATOM 13174 HW2 SOL 3867 22.200 5.560 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13179 ATOM 13175 OW SOL 3868 23.280 17.420 23.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13180 ATOM 13176 HW1 SOL 3868 23.140 18.290 24.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13181 ATOM 13177 HW2 SOL 3868 24.150 17.020 24.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13182 ATOM 13178 OW SOL 3869 32.480 2.970 28.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13183 ATOM 13179 HW1 SOL 3869 31.930 2.190 28.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13184 ATOM 13180 HW2 SOL 3869 32.100 3.350 29.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13185 ATOM 13181 OW SOL 3870 27.480 1.170 29.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13186 ATOM 13182 HW1 SOL 3870 28.050 0.390 29.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13187 ATOM 13183 HW2 SOL 3870 26.790 0.860 28.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13188 ATOM 13184 OW SOL 3871 27.980 11.830 22.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13189 ATOM 13185 HW1 SOL 3871 27.440 11.130 22.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13190 ATOM 13186 HW2 SOL 3871 28.370 11.450 23.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13191 ATOM 13187 OW SOL 3872 24.080 16.180 33.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13192 ATOM 13188 HW1 SOL 3872 24.210 16.920 33.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13193 ATOM 13189 HW2 SOL 3872 24.950 15.970 32.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13194 ATOM 13190 OW SOL 3873 32.420 2.160 19.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13195 ATOM 13191 HW1 SOL 3873 31.990 1.370 20.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13196 ATOM 13192 HW2 SOL 3873 31.790 2.930 19.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13197 ATOM 13193 OW SOL 3874 29.800 6.530 24.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13198 ATOM 13194 HW1 SOL 3874 30.200 5.820 25.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13199 ATOM 13195 HW2 SOL 3874 28.860 6.710 24.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13200 ATOM 13196 OW SOL 3875 34.510 3.340 26.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13201 ATOM 13197 HW1 SOL 3875 34.060 3.190 27.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13202 ATOM 13198 HW2 SOL 3875 35.090 4.150 26.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13203 ATOM 13199 OW SOL 3876 20.250 10.600 20.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13204 ATOM 13200 HW1 SOL 3876 20.980 10.500 19.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13205 ATOM 13201 HW2 SOL 3876 20.200 9.770 21.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13206 ATOM 13202 OW SOL 3877 28.030 17.900 21.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13207 ATOM 13203 HW1 SOL 3877 27.210 17.560 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13208 ATOM 13204 HW2 SOL 3877 28.180 18.860 21.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13209 ATOM 13205 OW SOL 3878 20.720 8.320 38.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13210 ATOM 13206 HW1 SOL 3878 20.150 7.730 38.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13211 ATOM 13207 HW2 SOL 3878 21.580 8.500 38.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13212 ATOM 13208 OW SOL 3879 20.260 0.730 47.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13213 ATOM 13209 HW1 SOL 3879 20.280 1.150 46.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13214 ATOM 13210 HW2 SOL 3879 19.800 -0.160 47.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13215 ATOM 13211 OW SOL 3880 17.550 4.300 44.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13216 ATOM 13212 HW1 SOL 3880 16.770 4.900 44.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13217 ATOM 13213 HW2 SOL 3880 17.590 4.070 43.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13218 ATOM 13214 OW SOL 3881 21.520 13.410 47.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13219 ATOM 13215 HW1 SOL 3881 21.190 13.730 46.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13220 ATOM 13216 HW2 SOL 3881 21.940 14.160 47.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13221 ATOM 13217 OW SOL 3882 32.490 15.200 43.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13222 ATOM 13218 HW1 SOL 3882 33.000 15.820 44.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13223 ATOM 13219 HW2 SOL 3882 32.230 15.670 42.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13224 ATOM 13220 OW SOL 3883 32.010 7.070 43.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13225 ATOM 13221 HW1 SOL 3883 32.310 7.910 43.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13226 ATOM 13222 HW2 SOL 3883 31.790 6.380 43.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13227 ATOM 13223 OW SOL 3884 36.810 5.280 38.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13228 ATOM 13224 HW1 SOL 3884 36.560 5.850 38.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13229 ATOM 13225 HW2 SOL 3884 35.990 5.060 39.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13230 ATOM 13226 OW SOL 3885 23.580 11.920 46.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13231 ATOM 13227 HW1 SOL 3885 22.890 12.320 47.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13232 ATOM 13228 HW2 SOL 3885 23.730 12.510 45.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13233 ATOM 13229 OW SOL 3886 28.260 8.320 55.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13234 ATOM 13230 HW1 SOL 3886 28.960 7.690 56.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13235 ATOM 13231 HW2 SOL 3886 27.390 7.840 55.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13236 ATOM 13232 OW SOL 3887 24.440 9.150 44.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13237 ATOM 13233 HW1 SOL 3887 25.160 9.210 45.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13238 ATOM 13234 HW2 SOL 3887 24.440 9.970 43.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13239 ATOM 13235 OW SOL 3888 24.040 10.930 55.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13240 ATOM 13236 HW1 SOL 3888 24.770 11.450 56.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13241 ATOM 13237 HW2 SOL 3888 23.630 11.490 55.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13242 ATOM 13238 OW SOL 3889 20.740 14.640 45.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13243 ATOM 13239 HW1 SOL 3889 20.340 13.900 44.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13244 ATOM 13240 HW2 SOL 3889 21.150 15.320 44.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13245 ATOM 13241 OW SOL 3890 32.660 16.860 53.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13246 ATOM 13242 HW1 SOL 3890 33.650 16.920 53.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13247 ATOM 13243 HW2 SOL 3890 32.430 17.350 52.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13248 ATOM 13244 OW SOL 3891 22.660 2.700 52.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13249 ATOM 13245 HW1 SOL 3891 23.070 3.350 52.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13250 ATOM 13246 HW2 SOL 3891 21.780 3.050 51.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13251 ATOM 13247 OW SOL 3892 34.390 4.540 44.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13252 ATOM 13248 HW1 SOL 3892 33.510 4.680 44.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13253 ATOM 13249 HW2 SOL 3892 34.510 5.250 45.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13254 ATOM 13250 OW SOL 3893 20.770 18.630 41.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13255 ATOM 13251 HW1 SOL 3893 20.330 19.430 41.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13256 ATOM 13252 HW2 SOL 3893 21.730 18.600 41.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13257 ATOM 13253 OW SOL 3894 28.400 12.120 53.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13258 ATOM 13254 HW1 SOL 3894 29.140 12.370 52.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13259 ATOM 13255 HW2 SOL 3894 27.780 11.470 52.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13260 ATOM 13256 OW SOL 3895 19.910 16.410 42.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13261 ATOM 13257 HW1 SOL 3895 20.290 17.170 41.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13262 ATOM 13258 HW2 SOL 3895 19.450 16.760 43.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13263 ATOM 13259 OW SOL 3896 21.150 10.250 43.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13264 ATOM 13260 HW1 SOL 3896 21.440 9.610 42.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13265 ATOM 13261 HW2 SOL 3896 20.640 9.760 44.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13266 ATOM 13262 OW SOL 3897 23.570 17.290 50.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13267 ATOM 13263 HW1 SOL 3897 23.680 16.450 51.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13268 ATOM 13264 HW2 SOL 3897 23.910 18.070 51.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13269 ATOM 13265 OW SOL 3898 25.070 10.410 40.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13270 ATOM 13266 HW1 SOL 3898 25.610 11.160 39.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13271 ATOM 13267 HW2 SOL 3898 25.680 9.780 40.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13272 ATOM 13268 OW SOL 3899 33.050 71.860 53.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13273 ATOM 13269 HW1 SOL 3899 33.460 72.670 52.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13274 ATOM 13270 HW2 SOL 3899 32.350 72.140 53.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13275 ATOM 13271 OW SOL 3900 19.790 5.450 45.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13276 ATOM 13272 HW1 SOL 3900 18.930 5.000 44.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13277 ATOM 13273 HW2 SOL 3900 19.590 6.400 45.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13278 ATOM 13274 OW SOL 3901 19.460 14.660 38.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13279 ATOM 13275 HW1 SOL 3901 18.550 14.300 38.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13280 ATOM 13276 HW2 SOL 3901 19.450 15.650 38.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13281 ATOM 13277 OW SOL 3902 36.910 7.520 43.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13282 ATOM 13278 HW1 SOL 3902 37.550 7.010 43.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13283 ATOM 13279 HW2 SOL 3902 37.340 7.750 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13284 ATOM 13280 OW SOL 3903 35.740 11.170 39.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13285 ATOM 13281 HW1 SOL 3903 35.180 11.090 40.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13286 ATOM 13282 HW2 SOL 3903 36.260 10.320 39.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13287 ATOM 13283 OW SOL 3904 19.640 7.130 50.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13288 ATOM 13284 HW1 SOL 3904 19.920 7.420 51.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13289 ATOM 13285 HW2 SOL 3904 18.760 7.540 50.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13290 ATOM 13286 OW SOL 3905 22.950 15.640 42.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13291 ATOM 13287 HW1 SOL 3905 22.560 14.970 41.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13292 ATOM 13288 HW2 SOL 3905 23.680 16.150 41.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13293 ATOM 13289 OW SOL 3906 30.350 12.940 51.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13294 ATOM 13290 HW1 SOL 3906 30.120 12.240 50.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13295 ATOM 13291 HW2 SOL 3906 31.320 12.900 51.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13296 ATOM 13292 OW SOL 3907 28.620 70.720 39.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13297 ATOM 13293 HW1 SOL 3907 27.920 70.820 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13298 ATOM 13294 HW2 SOL 3907 29.500 70.510 39.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13299 ATOM 13295 OW SOL 3908 21.280 9.180 49.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13300 ATOM 13296 HW1 SOL 3908 20.790 8.400 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13301 ATOM 13297 HW2 SOL 3908 20.640 9.740 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13302 ATOM 13298 OW SOL 3909 36.870 8.870 38.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13303 ATOM 13299 HW1 SOL 3909 36.320 8.130 37.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13304 ATOM 13300 HW2 SOL 3909 37.370 8.540 39.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13305 ATOM 13301 OW SOL 3910 30.630 18.160 54.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13306 ATOM 13302 HW1 SOL 3910 30.420 18.940 54.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13307 ATOM 13303 HW2 SOL 3910 31.310 17.570 54.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13308 ATOM 13304 OW SOL 3911 20.220 3.400 56.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13309 ATOM 13305 HW1 SOL 3911 20.790 3.640 57.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13310 ATOM 13306 HW2 SOL 3911 19.970 4.230 56.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13311 ATOM 13307 OW SOL 3912 30.950 15.100 46.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13312 ATOM 13308 HW1 SOL 3912 30.610 15.080 45.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13313 ATOM 13309 HW2 SOL 3912 30.330 15.640 47.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13314 ATOM 13310 OW SOL 3913 24.310 7.190 39.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13315 ATOM 13311 HW1 SOL 3913 24.370 7.930 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13316 ATOM 13312 HW2 SOL 3913 23.780 7.490 40.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13317 ATOM 13313 OW SOL 3914 30.470 3.350 45.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13318 ATOM 13314 HW1 SOL 3914 29.490 3.460 46.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13319 ATOM 13315 HW2 SOL 3914 30.730 2.400 46.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13320 ATOM 13316 OW SOL 3915 31.830 13.920 38.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13321 ATOM 13317 HW1 SOL 3915 31.320 13.450 39.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13322 ATOM 13318 HW2 SOL 3915 32.680 13.430 38.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13323 ATOM 13319 OW SOL 3916 25.730 5.900 52.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13324 ATOM 13320 HW1 SOL 3916 25.160 5.380 53.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13325 ATOM 13321 HW2 SOL 3916 26.340 5.280 52.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13326 ATOM 13322 OW SOL 3917 30.910 4.560 54.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13327 ATOM 13323 HW1 SOL 3917 30.760 5.360 54.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13328 ATOM 13324 HW2 SOL 3917 31.190 3.780 54.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13329 ATOM 13325 OW SOL 3918 26.700 10.210 52.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13330 ATOM 13326 HW1 SOL 3918 27.340 9.450 52.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13331 ATOM 13327 HW2 SOL 3918 26.390 10.210 51.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13332 ATOM 13328 OW SOL 3919 29.900 3.440 49.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13333 ATOM 13329 HW1 SOL 3919 29.360 4.260 49.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13334 ATOM 13330 HW2 SOL 3919 29.410 2.840 48.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13335 ATOM 13331 OW SOL 3920 29.810 5.700 41.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13336 ATOM 13332 HW1 SOL 3920 30.210 6.430 42.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13337 ATOM 13333 HW2 SOL 3920 28.950 6.020 41.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13338 ATOM 13334 OW SOL 3921 19.590 7.890 45.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13339 ATOM 13335 HW1 SOL 3921 20.450 8.310 45.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13340 ATOM 13336 HW2 SOL 3921 18.830 8.410 46.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13341 ATOM 13337 OW SOL 3922 19.260 19.010 53.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13342 ATOM 13338 HW1 SOL 3922 19.050 18.660 54.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13343 ATOM 13339 HW2 SOL 3922 18.710 18.510 52.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13344 ATOM 13340 OW SOL 3923 28.060 2.630 38.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13345 ATOM 13341 HW1 SOL 3923 28.310 3.590 38.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13346 ATOM 13342 HW2 SOL 3923 28.880 2.060 38.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13347 ATOM 13343 OW SOL 3924 34.510 6.900 52.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13348 ATOM 13344 HW1 SOL 3924 34.230 7.690 53.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13349 ATOM 13345 HW2 SOL 3924 35.010 7.220 52.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13350 ATOM 13346 OW SOL 3925 33.520 10.950 41.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13351 ATOM 13347 HW1 SOL 3925 33.580 11.940 41.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13352 ATOM 13348 HW2 SOL 3925 33.400 10.470 42.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13353 ATOM 13349 OW SOL 3926 24.830 3.160 48.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13354 ATOM 13350 HW1 SOL 3926 25.310 3.980 48.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13355 ATOM 13351 HW2 SOL 3926 23.910 3.150 48.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13356 ATOM 13352 OW SOL 3927 29.760 12.750 42.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13357 ATOM 13353 HW1 SOL 3927 28.840 13.090 42.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13358 ATOM 13354 HW2 SOL 3927 29.710 11.760 42.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13359 ATOM 13355 OW SOL 3928 20.370 18.680 44.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13360 ATOM 13356 HW1 SOL 3928 21.120 18.010 44.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13361 ATOM 13357 HW2 SOL 3928 20.520 19.320 45.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13362 ATOM 13358 OW SOL 3929 35.250 9.880 47.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13363 ATOM 13359 HW1 SOL 3929 34.390 10.390 47.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13364 ATOM 13360 HW2 SOL 3929 35.700 10.190 48.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13365 ATOM 13361 OW SOL 3930 28.350 14.540 54.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13366 ATOM 13362 HW1 SOL 3930 28.180 13.580 53.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13367 ATOM 13363 HW2 SOL 3930 27.860 15.140 53.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13368 ATOM 13364 OW SOL 3931 21.900 8.690 41.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13369 ATOM 13365 HW1 SOL 3931 21.500 8.690 40.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13370 ATOM 13366 HW2 SOL 3931 21.660 7.840 41.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13371 ATOM 13367 OW SOL 3932 35.180 9.250 44.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13372 ATOM 13368 HW1 SOL 3932 35.440 9.370 45.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13373 ATOM 13369 HW2 SOL 3932 35.760 8.540 44.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13374 ATOM 13370 OW SOL 3933 21.410 13.060 54.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13375 ATOM 13371 HW1 SOL 3933 21.990 12.370 53.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13376 ATOM 13372 HW2 SOL 3933 20.480 12.690 54.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13377 ATOM 13373 OW SOL 3934 29.770 18.000 41.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13378 ATOM 13374 HW1 SOL 3934 29.500 18.910 40.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13379 ATOM 13375 HW2 SOL 3934 29.030 17.350 40.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13380 ATOM 13376 OW SOL 3935 19.550 0.570 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13381 ATOM 13377 HW1 SOL 3935 18.620 0.550 49.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13382 ATOM 13378 HW2 SOL 3935 20.200 0.490 49.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13383 ATOM 13379 OW SOL 3936 37.820 13.510 39.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13384 ATOM 13380 HW1 SOL 3936 37.350 14.260 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13385 ATOM 13381 HW2 SOL 3936 37.230 12.700 39.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13386 ATOM 13382 OW SOL 3937 23.040 18.350 38.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13387 ATOM 13383 HW1 SOL 3937 23.830 18.870 38.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13388 ATOM 13384 HW2 SOL 3937 22.200 18.880 38.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13389 ATOM 13385 OW SOL 3938 33.240 71.860 41.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13390 ATOM 13386 HW1 SOL 3938 33.250 71.720 40.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13391 ATOM 13387 HW2 SOL 3938 33.630 72.760 41.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13392 ATOM 13388 OW SOL 3939 19.170 19.040 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13393 ATOM 13389 HW1 SOL 3939 19.600 18.140 47.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13394 ATOM 13390 HW2 SOL 3939 18.230 18.950 47.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13395 ATOM 13391 OW SOL 3940 27.120 16.810 46.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13396 ATOM 13392 HW1 SOL 3940 26.700 15.940 47.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13397 ATOM 13393 HW2 SOL 3940 27.400 16.780 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13398 ATOM 13394 OW SOL 3941 21.560 6.510 43.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13399 ATOM 13395 HW1 SOL 3941 20.980 6.200 43.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13400 ATOM 13396 HW2 SOL 3941 22.490 6.670 43.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13401 ATOM 13397 OW SOL 3942 32.400 2.790 52.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13402 ATOM 13398 HW1 SOL 3942 32.700 3.740 52.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13403 ATOM 13399 HW2 SOL 3942 31.400 2.760 52.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13404 ATOM 13400 OW SOL 3943 23.390 1.150 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13405 ATOM 13401 HW1 SOL 3943 23.790 0.300 38.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13406 ATOM 13402 HW2 SOL 3943 22.720 1.500 37.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13407 ATOM 13403 OW SOL 3944 25.400 1.980 54.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13408 ATOM 13404 HW1 SOL 3944 26.180 1.450 54.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13409 ATOM 13405 HW2 SOL 3944 24.940 1.480 53.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13410 ATOM 13406 OW SOL 3945 24.750 14.650 47.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13411 ATOM 13407 HW1 SOL 3945 24.590 14.400 46.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13412 ATOM 13408 HW2 SOL 3945 24.910 13.820 47.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13413 ATOM 13409 OW SOL 3946 32.430 5.560 52.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13414 ATOM 13410 HW1 SOL 3946 31.620 5.620 52.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13415 ATOM 13411 HW2 SOL 3946 33.210 5.970 52.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13416 ATOM 13412 OW SOL 3947 24.100 13.670 44.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13417 ATOM 13413 HW1 SOL 3947 24.290 13.040 43.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13418 ATOM 13414 HW2 SOL 3947 23.690 14.510 44.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13419 ATOM 13415 OW SOL 3948 29.500 7.740 45.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13420 ATOM 13416 HW1 SOL 3948 28.870 7.130 45.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13421 ATOM 13417 HW2 SOL 3948 30.260 7.210 46.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13422 ATOM 13418 OW SOL 3949 26.040 0.960 41.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13423 ATOM 13419 HW1 SOL 3949 25.420 1.150 42.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13424 ATOM 13420 HW2 SOL 3949 25.970 1.700 41.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13425 ATOM 13421 OW SOL 3950 33.860 12.770 37.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13426 ATOM 13422 HW1 SOL 3950 34.380 11.920 37.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13427 ATOM 13423 HW2 SOL 3950 33.940 13.290 36.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13428 ATOM 13424 OW SOL 3951 21.480 2.570 40.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13429 ATOM 13425 HW1 SOL 3951 22.160 2.190 39.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13430 ATOM 13426 HW2 SOL 3951 21.320 1.930 40.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13431 ATOM 13427 OW SOL 3952 29.840 1.100 41.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13432 ATOM 13428 HW1 SOL 3952 29.440 1.040 40.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13433 ATOM 13429 HW2 SOL 3952 30.800 1.370 41.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13434 ATOM 13430 OW SOL 3953 28.010 7.810 52.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13435 ATOM 13431 HW1 SOL 3953 27.240 7.220 53.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13436 ATOM 13432 HW2 SOL 3953 28.630 7.920 53.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13437 ATOM 13433 OW SOL 3954 29.400 15.430 44.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13438 ATOM 13434 HW1 SOL 3954 29.680 16.320 44.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13439 ATOM 13435 HW2 SOL 3954 29.670 14.710 43.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13440 ATOM 13436 OW SOL 3955 23.750 11.290 42.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13441 ATOM 13437 HW1 SOL 3955 22.870 10.950 43.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13442 ATOM 13438 HW2 SOL 3955 23.830 11.120 41.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13443 ATOM 13439 OW SOL 3956 28.880 5.210 38.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13444 ATOM 13440 HW1 SOL 3956 28.860 5.870 37.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13445 ATOM 13441 HW2 SOL 3956 29.790 5.170 38.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13446 ATOM 13442 OW SOL 3957 20.340 4.690 49.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13447 ATOM 13443 HW1 SOL 3957 20.010 4.060 50.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13448 ATOM 13444 HW2 SOL 3957 20.160 5.640 50.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13449 ATOM 13445 OW SOL 3958 24.640 1.090 51.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13450 ATOM 13446 HW1 SOL 3958 23.840 1.510 51.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13451 ATOM 13447 HW2 SOL 3958 24.940 1.680 50.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13452 ATOM 13448 OW SOL 3959 27.620 5.860 45.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13453 ATOM 13449 HW1 SOL 3959 27.330 5.760 44.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13454 ATOM 13450 HW2 SOL 3959 27.860 4.970 45.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13455 ATOM 13451 OW SOL 3960 28.360 2.230 43.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13456 ATOM 13452 HW1 SOL 3960 29.020 1.890 42.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13457 ATOM 13453 HW2 SOL 3960 27.530 2.540 42.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13458 ATOM 13454 OW SOL 3961 33.520 11.820 47.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13459 ATOM 13455 HW1 SOL 3961 33.690 12.790 47.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13460 ATOM 13456 HW2 SOL 3961 32.540 11.640 47.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13461 ATOM 13457 OW SOL 3962 31.700 5.630 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13462 ATOM 13458 HW1 SOL 3962 31.370 4.700 45.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13463 ATOM 13459 HW2 SOL 3962 32.440 5.800 46.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13464 ATOM 13460 OW SOL 3963 39.240 6.070 40.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13465 ATOM 13461 HW1 SOL 3963 39.210 5.690 41.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13466 ATOM 13462 HW2 SOL 3963 38.470 5.730 39.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13467 ATOM 13463 OW SOL 3964 23.450 12.150 38.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13468 ATOM 13464 HW1 SOL 3964 23.450 11.840 39.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13469 ATOM 13465 HW2 SOL 3964 22.520 12.430 37.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13470 ATOM 13466 OW SOL 3965 33.760 13.550 41.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13471 ATOM 13467 HW1 SOL 3965 34.750 13.680 41.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13472 ATOM 13468 HW2 SOL 3965 33.370 14.240 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13473 ATOM 13469 OW SOL 3966 32.690 6.470 37.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13474 ATOM 13470 HW1 SOL 3966 32.510 5.900 38.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13475 ATOM 13471 HW2 SOL 3966 33.660 6.720 37.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13476 ATOM 13472 OW SOL 3967 25.230 2.790 39.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13477 ATOM 13473 HW1 SOL 3967 24.780 2.090 39.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13478 ATOM 13474 HW2 SOL 3967 25.320 3.630 39.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13479 ATOM 13475 OW SOL 3968 35.820 13.640 52.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13480 ATOM 13476 HW1 SOL 3968 36.670 13.110 52.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13481 ATOM 13477 HW2 SOL 3968 35.770 14.160 53.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13482 ATOM 13478 OW SOL 3969 25.260 12.390 49.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13483 ATOM 13479 HW1 SOL 3969 24.690 11.570 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13484 ATOM 13480 HW2 SOL 3969 25.320 12.730 50.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13485 ATOM 13481 OW SOL 3970 31.880 19.170 56.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13486 ATOM 13482 HW1 SOL 3970 31.690 18.550 57.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13487 ATOM 13483 HW2 SOL 3970 31.230 18.990 56.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13488 ATOM 13484 OW SOL 3971 27.600 12.940 48.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13489 ATOM 13485 HW1 SOL 3971 26.690 12.710 48.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13490 ATOM 13486 HW2 SOL 3971 27.530 13.320 47.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13491 ATOM 13487 OW SOL 3972 36.000 13.850 48.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13492 ATOM 13488 HW1 SOL 3972 35.760 14.300 49.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13493 ATOM 13489 HW2 SOL 3972 35.330 14.100 47.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13494 ATOM 13490 OW SOL 3973 29.670 72.130 50.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13495 ATOM 13491 HW1 SOL 3973 28.690 71.940 50.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13496 ATOM 13492 HW2 SOL 3973 29.820 73.060 50.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13497 ATOM 13493 OW SOL 3974 24.300 8.630 54.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13498 ATOM 13494 HW1 SOL 3974 24.110 9.470 54.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13499 ATOM 13495 HW2 SOL 3974 24.730 8.880 53.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13500 ATOM 13496 OW SOL 3975 26.390 8.910 42.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13501 ATOM 13497 HW1 SOL 3975 26.600 9.050 42.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13502 ATOM 13498 HW2 SOL 3975 27.240 8.980 41.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13503 ATOM 13499 OW SOL 3976 24.360 7.660 48.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13504 ATOM 13500 HW1 SOL 3976 24.570 7.920 49.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13505 ATOM 13501 HW2 SOL 3976 23.490 7.180 48.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13506 ATOM 13502 OW SOL 3977 32.350 5.070 49.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13507 ATOM 13503 HW1 SOL 3977 32.390 5.290 50.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13508 ATOM 13504 HW2 SOL 3977 31.430 4.760 49.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13509 ATOM 13505 OW SOL 3978 18.410 16.040 49.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13510 ATOM 13506 HW1 SOL 3978 18.980 15.370 49.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13511 ATOM 13507 HW2 SOL 3978 18.830 16.270 48.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13512 ATOM 13508 OW SOL 3979 22.130 11.790 40.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13513 ATOM 13509 HW1 SOL 3979 21.660 12.630 40.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13514 ATOM 13510 HW2 SOL 3979 21.780 11.030 40.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13515 ATOM 13511 OW SOL 3980 22.430 4.540 45.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13516 ATOM 13512 HW1 SOL 3980 21.500 4.860 45.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13517 ATOM 13513 HW2 SOL 3980 23.080 5.240 45.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13518 ATOM 13514 OW SOL 3981 31.840 12.660 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13519 ATOM 13515 HW1 SOL 3981 32.410 13.480 44.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13520 ATOM 13516 HW2 SOL 3981 31.100 12.750 43.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13521 ATOM 13517 OW SOL 3982 29.080 14.780 49.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13522 ATOM 13518 HW1 SOL 3982 29.790 14.510 50.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13523 ATOM 13519 HW2 SOL 3982 28.620 13.970 49.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13524 ATOM 13520 OW SOL 3983 33.700 6.790 41.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13525 ATOM 13521 HW1 SOL 3983 32.950 6.830 41.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13526 ATOM 13522 HW2 SOL 3983 33.690 7.620 40.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13527 ATOM 13523 OW SOL 3984 19.950 16.380 47.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13528 ATOM 13524 HW1 SOL 3984 19.970 15.980 46.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13529 ATOM 13525 HW2 SOL 3984 20.830 16.240 47.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13530 ATOM 13526 OW SOL 3985 25.800 7.250 56.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13531 ATOM 13527 HW1 SOL 3985 25.280 7.870 55.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13532 ATOM 13528 HW2 SOL 3985 25.170 6.690 56.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13533 ATOM 13529 OW SOL 3986 33.990 9.360 53.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13534 ATOM 13530 HW1 SOL 3986 33.020 9.510 53.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13535 ATOM 13531 HW2 SOL 3986 34.210 9.720 52.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13536 ATOM 13532 OW SOL 3987 27.560 0.800 54.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13537 ATOM 13533 HW1 SOL 3987 27.730 1.530 55.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13538 ATOM 13534 HW2 SOL 3987 28.000 -0.040 55.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13539 ATOM 13535 OW SOL 3988 21.630 1.690 54.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13540 ATOM 13536 HW1 SOL 3988 21.030 2.200 55.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13541 ATOM 13537 HW2 SOL 3988 21.570 2.060 53.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13542 ATOM 13538 OW SOL 3989 25.280 9.760 46.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13543 ATOM 13539 HW1 SOL 3989 24.500 10.380 46.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13544 ATOM 13540 HW2 SOL 3989 25.050 8.980 47.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13545 ATOM 13541 OW SOL 3990 30.830 11.850 47.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13546 ATOM 13542 HW1 SOL 3990 31.090 12.520 46.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13547 ATOM 13543 HW2 SOL 3990 29.890 12.010 47.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13548 ATOM 13544 OW SOL 3991 31.700 4.800 39.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13549 ATOM 13545 HW1 SOL 3991 32.100 3.950 39.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13550 ATOM 13546 HW2 SOL 3991 31.610 5.450 40.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13551 ATOM 13547 OW SOL 3992 18.830 3.780 47.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13552 ATOM 13548 HW1 SOL 3992 19.260 4.060 48.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13553 ATOM 13549 HW2 SOL 3992 19.520 3.750 46.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13554 ATOM 13550 OW SOL 3993 17.720 11.610 50.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13555 ATOM 13551 HW1 SOL 3993 18.650 11.480 50.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13556 ATOM 13552 HW2 SOL 3993 17.270 12.320 50.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13557 ATOM 13553 OW SOL 3994 25.960 5.460 47.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13558 ATOM 13554 HW1 SOL 3994 26.080 5.360 46.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13559 ATOM 13555 HW2 SOL 3994 25.490 6.320 47.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13560 ATOM 13556 OW SOL 3995 35.810 9.330 55.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13561 ATOM 13557 HW1 SOL 3995 35.130 9.260 54.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13562 ATOM 13558 HW2 SOL 3995 35.770 8.510 56.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13563 ATOM 13559 OW SOL 3996 24.850 1.920 44.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13564 ATOM 13560 HW1 SOL 3996 23.860 2.010 44.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13565 ATOM 13561 HW2 SOL 3996 25.230 1.690 45.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13566 ATOM 13562 OW SOL 3997 35.250 4.540 41.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13567 ATOM 13563 HW1 SOL 3997 34.560 3.820 41.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13568 ATOM 13564 HW2 SOL 3997 34.800 5.430 41.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13569 ATOM 13565 OW SOL 3998 29.410 8.510 48.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13570 ATOM 13566 HW1 SOL 3998 29.690 7.770 49.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13571 ATOM 13567 HW2 SOL 3998 29.410 8.190 47.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13572 ATOM 13568 OW SOL 3999 25.230 13.730 52.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13573 ATOM 13569 HW1 SOL 3999 25.560 14.520 51.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13574 ATOM 13570 HW2 SOL 3999 25.980 13.350 52.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13575 ATOM 13571 OW SOL 4000 35.270 16.750 53.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13576 ATOM 13572 HW1 SOL 4000 35.740 17.080 52.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13577 ATOM 13573 HW2 SOL 4000 35.560 17.290 54.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13578 ATOM 13574 OW SOL 4001 21.410 6.510 54.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13579 ATOM 13575 HW1 SOL 4001 20.920 6.530 55.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13580 ATOM 13576 HW2 SOL 4001 22.380 6.730 54.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13581 ATOM 13577 OW SOL 4002 33.650 0.380 35.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13582 ATOM 13578 HW1 SOL 4002 33.220 -0.120 36.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13583 ATOM 13579 HW2 SOL 4002 34.180 -0.250 35.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13584 ATOM 13580 OW SOL 4003 31.500 8.940 37.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13585 ATOM 13581 HW1 SOL 4003 31.670 7.980 37.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13586 ATOM 13582 HW2 SOL 4003 31.700 9.080 36.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13587 ATOM 13583 OW SOL 4004 27.310 13.930 45.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13588 ATOM 13584 HW1 SOL 4004 26.540 13.610 45.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13589 ATOM 13585 HW2 SOL 4004 27.830 14.610 45.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13590 ATOM 13586 OW SOL 4005 22.010 9.100 45.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13591 ATOM 13587 HW1 SOL 4005 22.100 9.690 46.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13592 ATOM 13588 HW2 SOL 4005 22.810 9.210 45.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13593 ATOM 13589 OW SOL 4006 22.510 2.590 47.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13594 ATOM 13590 HW1 SOL 4006 21.750 1.950 47.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13595 ATOM 13591 HW2 SOL 4006 22.340 3.300 46.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13596 ATOM 13592 OW SOL 4007 28.340 4.040 54.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13597 ATOM 13593 HW1 SOL 4007 27.970 3.920 55.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13598 ATOM 13594 HW2 SOL 4007 29.320 4.250 54.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13599 ATOM 13595 OW SOL 4008 29.660 1.900 51.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13600 ATOM 13596 HW1 SOL 4008 28.770 2.080 52.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13601 ATOM 13597 HW2 SOL 4008 29.790 2.490 51.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13602 ATOM 13598 OW SOL 4009 20.890 12.560 37.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13603 ATOM 13599 HW1 SOL 4009 20.600 13.460 37.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13604 ATOM 13600 HW2 SOL 4009 20.160 11.890 37.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13605 ATOM 13601 OW SOL 4010 18.070 17.180 44.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13606 ATOM 13602 HW1 SOL 4010 17.750 16.400 45.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13607 ATOM 13603 HW2 SOL 4010 18.770 17.680 44.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13608 ATOM 13604 OW SOL 4011 22.320 16.960 44.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13609 ATOM 13605 HW1 SOL 4011 23.190 17.160 44.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13610 ATOM 13606 HW2 SOL 4011 22.500 16.530 43.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13611 ATOM 13607 OW SOL 4012 29.500 6.670 50.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13612 ATOM 13608 HW1 SOL 4012 29.090 7.140 51.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13613 ATOM 13609 HW2 SOL 4012 28.830 6.020 49.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13614 ATOM 13610 OW SOL 4013 16.100 3.900 47.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13615 ATOM 13611 HW1 SOL 4013 17.030 3.970 47.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13616 ATOM 13612 HW2 SOL 4013 15.670 3.070 47.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13617 ATOM 13613 OW SOL 4014 18.840 4.810 54.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13618 ATOM 13614 HW1 SOL 4014 19.750 5.220 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13619 ATOM 13615 HW2 SOL 4014 18.150 5.540 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13620 ATOM 13616 OW SOL 4015 31.240 9.700 53.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13621 ATOM 13617 HW1 SOL 4015 31.250 10.690 53.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13622 ATOM 13618 HW2 SOL 4015 31.190 9.400 52.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13623 ATOM 13619 OW SOL 4016 26.570 6.150 42.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13624 ATOM 13620 HW1 SOL 4016 25.950 5.370 42.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13625 ATOM 13621 HW2 SOL 4016 26.110 6.980 41.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13626 ATOM 13622 OW SOL 4017 34.130 5.520 47.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13627 ATOM 13623 HW1 SOL 4017 33.520 5.670 48.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13628 ATOM 13624 HW2 SOL 4017 35.070 5.470 47.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13629 ATOM 13625 OW SOL 4018 21.950 15.080 52.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13630 ATOM 13626 HW1 SOL 4018 21.920 14.420 52.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13631 ATOM 13627 HW2 SOL 4018 21.430 14.720 51.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13632 ATOM 13628 OW SOL 4019 27.560 5.120 49.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13633 ATOM 13629 HW1 SOL 4019 27.120 4.500 50.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13634 ATOM 13630 HW2 SOL 4019 26.930 5.290 48.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13635 ATOM 13631 OW SOL 4020 26.690 15.780 51.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13636 ATOM 13632 HW1 SOL 4020 27.460 15.390 50.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13637 ATOM 13633 HW2 SOL 4020 26.640 16.770 51.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13638 ATOM 13634 OW SOL 4021 25.630 5.110 38.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13639 ATOM 13635 HW1 SOL 4021 26.580 5.370 38.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13640 ATOM 13636 HW2 SOL 4021 25.040 5.760 39.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13641 ATOM 13637 OW SOL 4022 20.130 10.950 51.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13642 ATOM 13638 HW1 SOL 4022 20.100 10.580 52.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13643 ATOM 13639 HW2 SOL 4022 20.820 10.450 51.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13644 ATOM 13640 OW SOL 4023 29.480 11.170 49.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13645 ATOM 13641 HW1 SOL 4023 29.400 10.230 49.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13646 ATOM 13642 HW2 SOL 4023 28.780 11.740 49.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13647 ATOM 13643 OW SOL 4024 33.660 9.060 39.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13648 ATOM 13644 HW1 SOL 4024 33.640 9.840 39.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13649 ATOM 13645 HW2 SOL 4024 32.930 9.160 38.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13650 ATOM 13646 OW SOL 4025 34.380 17.840 48.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13651 ATOM 13647 HW1 SOL 4025 34.520 18.030 47.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13652 ATOM 13648 HW2 SOL 4025 34.320 16.850 48.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13653 ATOM 13649 OW SOL 4026 29.850 17.510 49.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13654 ATOM 13650 HW1 SOL 4026 30.810 17.660 49.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13655 ATOM 13651 HW2 SOL 4026 29.650 16.530 49.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13656 ATOM 13652 OW SOL 4027 20.140 10.780 47.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13657 ATOM 13653 HW1 SOL 4027 20.480 11.710 47.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13658 ATOM 13654 HW2 SOL 4027 19.330 10.640 47.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13659 ATOM 13655 OW SOL 4028 24.440 16.670 54.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13660 ATOM 13656 HW1 SOL 4028 23.610 16.880 54.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13661 ATOM 13657 HW2 SOL 4028 25.020 16.060 53.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13662 ATOM 13658 OW SOL 4029 35.010 1.140 42.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13663 ATOM 13659 HW1 SOL 4029 35.510 1.080 41.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13664 ATOM 13660 HW2 SOL 4029 35.560 1.640 42.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13665 ATOM 13661 OW SOL 4030 32.110 16.320 41.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13666 ATOM 13662 HW1 SOL 4030 32.560 16.050 40.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13667 ATOM 13663 HW2 SOL 4030 31.310 16.890 41.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13668 ATOM 13664 OW SOL 4031 18.780 17.750 55.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13669 ATOM 13665 HW1 SOL 4031 18.210 17.150 56.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13670 ATOM 13666 HW2 SOL 4031 19.640 17.930 56.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13671 ATOM 13667 OW SOL 4032 32.600 9.680 44.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13672 ATOM 13668 HW1 SOL 4032 33.590 9.630 44.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13673 ATOM 13669 HW2 SOL 4032 32.230 10.330 44.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13674 ATOM 13670 OW SOL 4033 23.660 10.170 50.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13675 ATOM 13671 HW1 SOL 4033 24.180 9.400 50.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13676 ATOM 13672 HW2 SOL 4033 22.770 9.860 49.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13677 ATOM 13673 OW SOL 4034 27.280 16.550 40.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13678 ATOM 13674 HW1 SOL 4034 26.950 16.350 39.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13679 ATOM 13675 HW2 SOL 4034 26.860 17.390 40.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13680 ATOM 13676 OW SOL 4035 32.370 17.850 50.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13681 ATOM 13677 HW1 SOL 4035 32.890 17.860 49.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13682 ATOM 13678 HW2 SOL 4035 32.420 18.750 50.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13683 ATOM 13679 OW SOL 4036 36.950 1.110 47.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13684 ATOM 13680 HW1 SOL 4036 36.950 0.110 47.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13685 ATOM 13681 HW2 SOL 4036 36.110 1.390 46.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13686 ATOM 13682 OW SOL 4037 21.880 2.460 43.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13687 ATOM 13683 HW1 SOL 4037 22.230 3.370 43.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13688 ATOM 13684 HW2 SOL 4037 21.010 2.540 44.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13689 ATOM 13685 OW SOL 4038 28.240 14.860 36.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13690 ATOM 13686 HW1 SOL 4038 28.650 14.110 37.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13691 ATOM 13687 HW2 SOL 4038 28.110 14.580 35.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13692 ATOM 13688 OW SOL 4039 26.890 9.120 49.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13693 ATOM 13689 HW1 SOL 4039 27.720 8.600 49.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13694 ATOM 13690 HW2 SOL 4039 26.470 9.470 48.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13695 ATOM 13691 OW SOL 4040 28.910 9.240 40.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13696 ATOM 13692 HW1 SOL 4040 29.110 9.330 39.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13697 ATOM 13693 HW2 SOL 4040 29.450 9.910 41.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13698 ATOM 13694 OW SOL 4041 35.620 15.000 38.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13699 ATOM 13695 HW1 SOL 4041 35.000 14.220 38.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13700 ATOM 13696 HW2 SOL 4041 35.260 15.780 38.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13701 ATOM 13697 OW SOL 4042 20.440 13.600 50.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13702 ATOM 13698 HW1 SOL 4042 20.270 13.810 49.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13703 ATOM 13699 HW2 SOL 4042 20.990 12.770 50.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13704 ATOM 13700 OW SOL 4043 34.970 15.110 50.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13705 ATOM 13701 HW1 SOL 4043 35.500 15.050 51.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13706 ATOM 13702 HW2 SOL 4043 34.010 14.880 50.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13707 ATOM 13703 OW SOL 4044 30.070 10.180 43.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13708 ATOM 13704 HW1 SOL 4044 29.320 9.910 43.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13709 ATOM 13705 HW2 SOL 4044 30.940 9.870 43.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13710 ATOM 13706 OW SOL 4045 27.690 3.140 45.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13711 ATOM 13707 HW1 SOL 4045 28.070 2.720 45.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13712 ATOM 13708 HW2 SOL 4045 27.270 2.430 46.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13713 ATOM 13709 OW SOL 4046 26.270 15.000 42.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13714 ATOM 13710 HW1 SOL 4046 26.450 14.020 42.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13715 ATOM 13711 HW2 SOL 4046 26.650 15.360 41.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13716 ATOM 13712 OW SOL 4047 37.710 4.240 50.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13717 ATOM 13713 HW1 SOL 4047 37.760 5.170 50.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13718 ATOM 13714 HW2 SOL 4047 37.170 3.660 50.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13719 ATOM 13715 OW SOL 4048 20.470 14.010 41.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13720 ATOM 13716 HW1 SOL 4048 20.130 14.210 40.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13721 ATOM 13717 HW2 SOL 4048 20.260 14.780 41.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13722 ATOM 13718 OW SOL 4049 19.770 8.290 53.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13723 ATOM 13719 HW1 SOL 4049 19.020 8.380 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13724 ATOM 13720 HW2 SOL 4049 20.490 7.710 53.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13725 ATOM 13721 OW SOL 4050 27.020 3.330 51.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13726 ATOM 13722 HW1 SOL 4050 27.620 3.760 52.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13727 ATOM 13723 HW2 SOL 4050 26.550 2.560 52.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13728 ATOM 13724 OW SOL 4051 19.240 5.320 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13729 ATOM 13725 HW1 SOL 4051 18.720 4.820 36.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13730 ATOM 13726 HW2 SOL 4051 20.100 5.650 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13731 ATOM 13727 OW SOL 4052 31.380 8.910 51.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13732 ATOM 13728 HW1 SOL 4052 31.110 7.950 50.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13733 ATOM 13729 HW2 SOL 4052 31.980 9.160 50.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13734 ATOM 13730 OW SOL 4053 19.480 4.140 39.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13735 ATOM 13731 HW1 SOL 4053 19.360 4.300 38.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13736 ATOM 13732 HW2 SOL 4053 20.350 3.660 39.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13737 ATOM 13733 OW SOL 4054 30.800 11.790 40.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13738 ATOM 13734 HW1 SOL 4054 30.800 12.290 41.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13739 ATOM 13735 HW2 SOL 4054 31.430 11.020 40.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13740 ATOM 13736 OW SOL 4055 24.980 8.090 51.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13741 ATOM 13737 HW1 SOL 4055 25.720 8.310 50.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13742 ATOM 13738 HW2 SOL 4055 25.210 7.260 51.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13743 ATOM 13739 OW SOL 4056 23.740 4.210 53.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13744 ATOM 13740 HW1 SOL 4056 23.080 4.520 54.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13745 ATOM 13741 HW2 SOL 4056 24.380 3.580 54.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13746 ATOM 13742 OW SOL 4057 33.160 12.870 52.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13747 ATOM 13743 HW1 SOL 4057 32.740 12.800 53.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13748 ATOM 13744 HW2 SOL 4057 33.950 13.480 52.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13749 ATOM 13745 OW SOL 4058 22.100 17.490 53.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13750 ATOM 13746 HW1 SOL 4058 21.210 17.930 53.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13751 ATOM 13747 HW2 SOL 4058 22.110 16.660 52.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13752 ATOM 13748 OW SOL 4059 32.320 9.200 48.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13753 ATOM 13749 HW1 SOL 4059 32.710 9.640 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13754 ATOM 13750 HW2 SOL 4059 31.360 9.460 48.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13755 ATOM 13751 OW SOL 4060 33.070 2.900 40.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13756 ATOM 13752 HW1 SOL 4060 33.810 2.270 41.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13757 ATOM 13753 HW2 SOL 4060 32.440 2.980 41.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13758 ATOM 13754 OW SOL 4061 23.990 6.500 44.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13759 ATOM 13755 HW1 SOL 4061 24.140 7.480 44.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13760 ATOM 13756 HW2 SOL 4061 24.690 6.150 43.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13761 ATOM 13757 OW SOL 4062 34.610 1.140 51.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13762 ATOM 13758 HW1 SOL 4062 35.330 1.660 51.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13763 ATOM 13759 HW2 SOL 4062 33.800 1.720 52.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13764 ATOM 13760 OW SOL 4063 34.730 10.830 51.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13765 ATOM 13761 HW1 SOL 4063 35.490 11.040 50.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13766 ATOM 13762 HW2 SOL 4063 34.210 11.660 51.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13767 ATOM 13763 OW SOL 4064 26.460 12.670 39.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13768 ATOM 13764 HW1 SOL 4064 27.310 12.670 39.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13769 ATOM 13765 HW2 SOL 4064 25.960 13.510 39.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13770 ATOM 13766 OW SOL 4065 24.730 17.870 45.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13771 ATOM 13767 HW1 SOL 4065 24.190 18.710 45.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13772 ATOM 13768 HW2 SOL 4065 25.320 17.860 46.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13773 ATOM 13769 OW SOL 4066 27.760 9.590 44.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13774 ATOM 13770 HW1 SOL 4066 28.410 8.900 45.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13775 ATOM 13771 HW2 SOL 4066 27.600 10.270 45.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13776 ATOM 13772 OW SOL 4067 29.130 9.420 38.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13777 ATOM 13773 HW1 SOL 4067 28.710 9.820 37.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13778 ATOM 13774 HW2 SOL 4067 30.080 9.170 37.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13779 ATOM 13775 OW SOL 4068 19.260 11.770 55.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13780 ATOM 13776 HW1 SOL 4068 19.400 10.930 55.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13781 ATOM 13777 HW2 SOL 4068 18.340 12.120 55.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13782 ATOM 13778 OW SOL 4069 19.680 12.550 43.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13783 ATOM 13779 HW1 SOL 4069 20.030 11.620 43.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13784 ATOM 13780 HW2 SOL 4069 19.980 12.910 42.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13785 ATOM 13781 OW SOL 4070 23.400 11.730 52.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13786 ATOM 13782 HW1 SOL 4070 23.480 11.050 51.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13787 ATOM 13783 HW2 SOL 4070 23.990 12.510 52.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13788 ATOM 13784 OW SOL 4071 35.960 2.440 49.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13789 ATOM 13785 HW1 SOL 4071 34.980 2.550 49.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13790 ATOM 13786 HW2 SOL 4071 36.420 2.210 48.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13791 ATOM 13787 OW SOL 4072 25.040 3.910 42.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13792 ATOM 13788 HW1 SOL 4072 25.240 3.530 41.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13793 ATOM 13789 HW2 SOL 4072 25.040 3.180 43.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13794 ATOM 13790 OW SOL 4073 33.690 14.770 47.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13795 ATOM 13791 HW1 SOL 4073 32.700 14.710 47.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13796 ATOM 13792 HW2 SOL 4073 33.900 15.580 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13797 ATOM 13793 OW SOL 4074 22.420 5.670 48.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13798 ATOM 13794 HW1 SOL 4074 22.670 5.050 47.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13799 ATOM 13795 HW2 SOL 4074 21.750 5.230 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13800 ATOM 13796 OW SOL 4075 26.870 17.130 44.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13801 ATOM 13797 HW1 SOL 4075 26.730 16.220 43.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13802 ATOM 13798 HW2 SOL 4075 26.010 17.460 44.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13803 ATOM 13799 OW SOL 4076 33.460 2.610 48.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13804 ATOM 13800 HW1 SOL 4076 32.630 2.060 48.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13805 ATOM 13801 HW2 SOL 4076 33.210 3.580 48.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13806 ATOM 13802 OW SOL 4077 28.720 1.270 47.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13807 ATOM 13803 HW1 SOL 4077 28.040 0.690 48.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13808 ATOM 13804 HW2 SOL 4077 29.050 0.800 47.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13809 ATOM 13805 OW SOL 4078 26.480 12.310 42.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13810 ATOM 13806 HW1 SOL 4078 25.940 11.490 42.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13811 ATOM 13807 HW2 SOL 4078 26.560 12.460 41.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13812 ATOM 13808 OW SOL 4079 22.580 16.090 48.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13813 ATOM 13809 HW1 SOL 4079 22.900 16.560 49.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13814 ATOM 13810 HW2 SOL 4079 23.360 15.640 47.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13815 ATOM 13811 OW SOL 4080 32.100 71.340 37.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13816 ATOM 13812 HW1 SOL 4080 31.740 70.500 37.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13817 ATOM 13813 HW2 SOL 4080 31.350 71.980 37.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13818 ATOM 13814 OW SOL 4081 31.530 3.660 43.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13819 ATOM 13815 HW1 SOL 4081 30.920 4.380 42.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13820 ATOM 13816 HW2 SOL 4081 31.260 3.400 44.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13821 ATOM 13817 OW SOL 4082 34.450 2.220 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13822 ATOM 13818 HW1 SOL 4082 34.030 2.230 47.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13823 ATOM 13819 HW2 SOL 4082 34.500 3.150 45.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13824 ATOM 13820 OW SOL 4083 18.950 9.750 40.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13825 ATOM 13821 HW1 SOL 4083 19.580 9.230 40.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13826 ATOM 13822 HW2 SOL 4083 18.550 9.140 41.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13827 ATOM 13823 OW SOL 4084 28.520 19.910 39.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13828 ATOM 13824 HW1 SOL 4084 27.870 20.610 39.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13829 ATOM 13825 HW2 SOL 4084 28.040 19.190 39.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13830 ATOM 13826 OW SOL 4085 19.840 6.660 56.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13831 ATOM 13827 HW1 SOL 4085 18.890 6.700 56.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13832 ATOM 13828 HW2 SOL 4085 19.890 6.270 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13833 ATOM 13829 OW SOL 4086 20.200 1.220 66.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13834 ATOM 13830 HW1 SOL 4086 19.780 0.940 67.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13835 ATOM 13831 HW2 SOL 4086 19.860 0.650 65.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13836 ATOM 13832 OW SOL 4087 15.510 5.040 60.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13837 ATOM 13833 HW1 SOL 4087 14.980 5.370 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13838 ATOM 13834 HW2 SOL 4087 15.010 4.310 60.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13839 ATOM 13835 OW SOL 4088 22.770 13.710 69.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13840 ATOM 13836 HW1 SOL 4088 22.240 14.520 68.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13841 ATOM 13837 HW2 SOL 4088 22.160 12.960 69.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13842 ATOM 13838 OW SOL 4089 32.270 15.210 63.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13843 ATOM 13839 HW1 SOL 4089 32.070 14.230 63.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13844 ATOM 13840 HW2 SOL 4089 31.420 15.710 62.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13845 ATOM 13841 OW SOL 4090 29.360 6.970 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13846 ATOM 13842 HW1 SOL 4090 29.690 7.900 63.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13847 ATOM 13843 HW2 SOL 4090 28.750 6.700 63.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13848 ATOM 13844 OW SOL 4091 37.630 6.040 54.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13849 ATOM 13845 HW1 SOL 4091 38.210 6.380 53.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13850 ATOM 13846 HW2 SOL 4091 37.170 5.200 54.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13851 ATOM 13847 OW SOL 4092 24.140 10.180 65.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13852 ATOM 13848 HW1 SOL 4092 24.320 10.140 66.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13853 ATOM 13849 HW2 SOL 4092 23.950 11.130 65.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13854 ATOM 13850 OW SOL 4093 25.640 9.920 1.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13855 ATOM 13851 HW1 SOL 4093 25.940 9.560 2.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13856 ATOM 13852 HW2 SOL 4093 26.100 10.790 1.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13857 ATOM 13853 OW SOL 4094 24.550 8.670 62.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13858 ATOM 13854 HW1 SOL 4094 25.280 9.110 62.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13859 ATOM 13855 HW2 SOL 4094 23.750 9.260 62.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13860 ATOM 13856 OW SOL 4095 20.530 14.580 66.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13861 ATOM 13857 HW1 SOL 4095 19.920 13.890 66.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13862 ATOM 13858 HW2 SOL 4095 20.540 14.520 65.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13863 ATOM 13859 OW SOL 4096 33.130 13.660 69.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13864 ATOM 13860 HW1 SOL 4096 33.580 14.470 70.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13865 ATOM 13861 HW2 SOL 4096 32.360 13.410 70.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13866 ATOM 13862 OW SOL 4097 22.990 0.560 68.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13867 ATOM 13863 HW1 SOL 4097 23.460 1.390 69.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13868 ATOM 13864 HW2 SOL 4097 22.240 0.340 69.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13869 ATOM 13865 OW SOL 4098 33.910 5.020 62.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13870 ATOM 13866 HW1 SOL 4098 33.140 4.800 62.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13871 ATOM 13867 HW2 SOL 4098 34.080 6.000 62.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13872 ATOM 13868 OW SOL 4099 20.910 15.740 60.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13873 ATOM 13869 HW1 SOL 4099 21.420 15.500 61.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13874 ATOM 13870 HW2 SOL 4099 21.540 15.870 60.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13875 ATOM 13871 OW SOL 4100 18.500 15.360 59.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13876 ATOM 13872 HW1 SOL 4100 19.240 15.620 59.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13877 ATOM 13873 HW2 SOL 4100 17.800 14.860 59.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13878 ATOM 13874 OW SOL 4101 19.730 9.300 63.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13879 ATOM 13875 HW1 SOL 4101 20.130 8.460 64.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13880 ATOM 13876 HW2 SOL 4101 19.510 9.930 64.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13881 ATOM 13877 OW SOL 4102 24.320 18.690 68.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13882 ATOM 13878 HW1 SOL 4102 23.990 19.310 69.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13883 ATOM 13879 HW2 SOL 4102 25.280 18.910 68.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13884 ATOM 13880 OW SOL 4103 23.060 9.450 57.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13885 ATOM 13881 HW1 SOL 4103 23.440 9.910 57.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13886 ATOM 13882 HW2 SOL 4103 23.810 9.080 58.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13887 ATOM 13883 OW SOL 4104 32.270 4.030 70.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13888 ATOM 13884 HW1 SOL 4104 33.200 3.970 70.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13889 ATOM 13885 HW2 SOL 4104 32.230 4.710 71.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13890 ATOM 13886 OW SOL 4105 19.180 5.760 59.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13891 ATOM 13887 HW1 SOL 4105 18.840 4.820 59.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13892 ATOM 13888 HW2 SOL 4105 19.070 6.250 60.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13893 ATOM 13889 OW SOL 4106 35.300 16.340 60.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13894 ATOM 13890 HW1 SOL 4106 34.810 16.700 61.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13895 ATOM 13891 HW2 SOL 4106 36.160 16.850 60.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13896 ATOM 13892 OW SOL 4107 17.040 16.510 57.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13897 ATOM 13893 HW1 SOL 4107 16.520 15.920 56.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13898 ATOM 13894 HW2 SOL 4107 17.680 15.950 57.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13899 ATOM 13895 OW SOL 4108 34.830 7.760 62.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13900 ATOM 13896 HW1 SOL 4108 34.600 8.210 61.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13901 ATOM 13897 HW2 SOL 4108 35.820 7.740 62.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13902 ATOM 13898 OW SOL 4109 33.010 12.000 59.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13903 ATOM 13899 HW1 SOL 4109 33.480 11.500 59.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13904 ATOM 13900 HW2 SOL 4109 33.520 12.830 60.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13905 ATOM 13901 OW SOL 4110 19.640 9.280 71.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13906 ATOM 13902 HW1 SOL 4110 19.620 10.270 71.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13907 ATOM 13903 HW2 SOL 4110 18.980 9.070 70.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13908 ATOM 13904 OW SOL 4111 21.920 12.720 62.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13909 ATOM 13905 HW1 SOL 4111 21.770 11.950 62.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13910 ATOM 13906 HW2 SOL 4111 22.070 12.390 61.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13911 ATOM 13907 OW SOL 4112 30.970 13.140 71.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13912 ATOM 13908 HW1 SOL 4112 30.140 12.630 71.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13913 ATOM 13909 HW2 SOL 4112 31.350 12.850 72.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13914 ATOM 13910 OW SOL 4113 26.970 72.330 61.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13915 ATOM 13911 HW1 SOL 4113 27.020 73.330 61.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13916 ATOM 13912 HW2 SOL 4113 26.180 72.060 61.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13917 ATOM 13913 OW SOL 4114 19.820 9.370 67.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13918 ATOM 13914 HW1 SOL 4114 20.340 8.560 68.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13919 ATOM 13915 HW2 SOL 4114 18.870 9.110 67.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13920 ATOM 13916 OW SOL 4115 33.980 10.610 57.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13921 ATOM 13917 HW1 SOL 4115 33.050 10.440 57.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13922 ATOM 13918 HW2 SOL 4115 34.640 10.160 56.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13923 ATOM 13919 OW SOL 4116 30.550 19.780 0.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13924 ATOM 13920 HW1 SOL 4116 30.120 19.750 -0.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13925 ATOM 13921 HW2 SOL 4116 31.160 20.570 0.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13926 ATOM 13922 OW SOL 4117 20.340 2.110 1.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13927 ATOM 13923 HW1 SOL 4117 20.140 2.110 2.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13928 ATOM 13924 HW2 SOL 4117 19.890 2.880 0.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13929 ATOM 13925 OW SOL 4118 31.620 12.720 63.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13930 ATOM 13926 HW1 SOL 4118 31.540 12.270 64.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13931 ATOM 13927 HW2 SOL 4118 31.320 12.090 62.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13932 ATOM 13928 OW SOL 4119 34.080 17.490 62.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13933 ATOM 13929 HW1 SOL 4119 34.890 17.800 63.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13934 ATOM 13930 HW2 SOL 4119 33.530 16.890 63.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13935 ATOM 13931 OW SOL 4120 21.760 5.870 58.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13936 ATOM 13932 HW1 SOL 4120 20.890 5.600 59.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13937 ATOM 13933 HW2 SOL 4120 22.390 6.160 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13938 ATOM 13934 OW SOL 4121 30.560 4.680 66.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13939 ATOM 13935 HW1 SOL 4121 29.590 4.650 66.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13940 ATOM 13936 HW2 SOL 4121 31.120 4.350 67.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13941 ATOM 13937 OW SOL 4122 33.380 15.910 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13942 ATOM 13938 HW1 SOL 4122 34.090 16.000 59.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13943 ATOM 13939 HW2 SOL 4122 33.720 15.360 57.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13944 ATOM 13940 OW SOL 4123 25.370 5.760 68.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13945 ATOM 13941 HW1 SOL 4123 25.640 5.440 69.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13946 ATOM 13942 HW2 SOL 4123 25.330 4.990 68.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13947 ATOM 13943 OW SOL 4124 28.660 11.550 71.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13948 ATOM 13944 HW1 SOL 4124 28.800 10.570 71.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13949 ATOM 13945 HW2 SOL 4124 28.040 11.920 72.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13950 ATOM 13946 OW SOL 4125 27.890 3.670 67.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13951 ATOM 13947 HW1 SOL 4125 26.920 3.580 67.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13952 ATOM 13948 HW2 SOL 4125 28.290 2.760 67.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13953 ATOM 13949 OW SOL 4126 28.740 5.540 60.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13954 ATOM 13950 HW1 SOL 4126 28.790 6.190 61.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13955 ATOM 13951 HW2 SOL 4126 29.350 4.770 61.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13956 ATOM 13952 OW SOL 4127 19.300 7.100 61.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13957 ATOM 13953 HW1 SOL 4127 19.870 7.670 62.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13958 ATOM 13954 HW2 SOL 4127 18.390 7.490 61.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13959 ATOM 13955 OW SOL 4128 16.720 19.100 70.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13960 ATOM 13956 HW1 SOL 4128 17.020 19.470 70.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13961 ATOM 13957 HW2 SOL 4128 16.000 18.420 70.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13962 ATOM 13958 OW SOL 4129 26.160 1.800 57.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13963 ATOM 13959 HW1 SOL 4129 26.710 0.970 57.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13964 ATOM 13960 HW2 SOL 4129 25.260 1.600 57.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13965 ATOM 13961 OW SOL 4130 30.680 11.010 61.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13966 ATOM 13962 HW1 SOL 4130 31.510 11.390 60.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13967 ATOM 13963 HW2 SOL 4130 29.900 11.590 60.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13968 ATOM 13964 OW SOL 4131 24.030 2.300 64.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13969 ATOM 13965 HW1 SOL 4131 24.300 1.620 65.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13970 ATOM 13966 HW2 SOL 4131 24.850 2.720 64.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13971 ATOM 13967 OW SOL 4132 27.000 14.620 61.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13972 ATOM 13968 HW1 SOL 4132 26.790 15.030 60.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13973 ATOM 13969 HW2 SOL 4132 26.190 14.140 61.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13974 ATOM 13970 OW SOL 4133 22.030 17.780 64.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13975 ATOM 13971 HW1 SOL 4133 21.850 16.820 64.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13976 ATOM 13972 HW2 SOL 4133 22.340 18.260 63.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13977 ATOM 13973 OW SOL 4134 35.690 11.940 65.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13978 ATOM 13974 HW1 SOL 4134 35.120 12.740 65.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13979 ATOM 13975 HW2 SOL 4134 35.260 11.140 65.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13980 ATOM 13976 OW SOL 4135 29.770 15.470 71.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13981 ATOM 13977 HW1 SOL 4135 30.320 14.690 71.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13982 ATOM 13978 HW2 SOL 4135 29.480 15.990 70.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13983 ATOM 13979 OW SOL 4136 20.390 9.510 56.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13984 ATOM 13980 HW1 SOL 4136 21.260 9.680 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13985 ATOM 13981 HW2 SOL 4136 20.360 8.560 56.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13986 ATOM 13982 OW SOL 4137 33.060 8.380 64.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13987 ATOM 13983 HW1 SOL 4137 32.600 7.690 65.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13988 ATOM 13984 HW2 SOL 4137 33.520 7.920 63.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13989 ATOM 13985 OW SOL 4138 22.490 12.750 0.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13990 ATOM 13986 HW1 SOL 4138 21.710 13.310 -0.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13991 ATOM 13987 HW2 SOL 4138 22.390 11.820 -0.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13992 ATOM 13988 OW SOL 4139 28.830 16.190 58.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13993 ATOM 13989 HW1 SOL 4139 27.900 15.920 58.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13994 ATOM 13990 HW2 SOL 4139 29.190 15.610 57.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13995 ATOM 13991 OW SOL 4140 19.970 1.370 70.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13996 ATOM 13992 HW1 SOL 4140 20.010 2.330 70.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13997 ATOM 13993 HW2 SOL 4140 19.130 1.210 70.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13998 ATOM 13994 OW SOL 4141 34.410 13.570 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
13999 ATOM 13995 HW1 SOL 4141 33.780 14.090 55.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14000 ATOM 13996 HW2 SOL 4141 34.080 12.630 56.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14001 ATOM 13997 OW SOL 4142 22.570 16.420 58.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14002 ATOM 13998 HW1 SOL 4142 23.040 17.240 59.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14003 ATOM 13999 HW2 SOL 4142 23.240 15.720 58.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14004 ATOM 14000 OW SOL 4143 30.830 1.520 59.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14005 ATOM 14001 HW1 SOL 4143 31.230 0.940 58.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14006 ATOM 14002 HW2 SOL 4143 31.340 2.380 59.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14007 ATOM 14003 OW SOL 4144 18.390 17.820 67.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14008 ATOM 14004 HW1 SOL 4144 17.790 17.110 66.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14009 ATOM 14005 HW2 SOL 4144 17.960 18.260 68.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14010 ATOM 14006 OW SOL 4145 25.530 16.910 63.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14011 ATOM 14007 HW1 SOL 4145 26.520 16.760 63.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14012 ATOM 14008 HW2 SOL 4145 25.040 16.160 63.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14013 ATOM 14009 OW SOL 4146 21.420 5.480 61.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14014 ATOM 14010 HW1 SOL 4146 20.950 4.600 61.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14015 ATOM 14011 HW2 SOL 4146 20.740 6.210 61.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14016 ATOM 14012 OW SOL 4147 23.580 1.580 56.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14017 ATOM 14013 HW1 SOL 4147 23.880 0.640 56.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14018 ATOM 14014 HW2 SOL 4147 22.720 1.570 56.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14019 ATOM 14015 OW SOL 4148 25.190 0.850 0.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14020 ATOM 14016 HW1 SOL 4148 25.870 1.420 -0.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14021 ATOM 14017 HW2 SOL 4148 24.300 0.960 -0.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14022 ATOM 14018 OW SOL 4149 26.970 15.490 68.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14023 ATOM 14019 HW1 SOL 4149 26.280 15.790 67.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14024 ATOM 14020 HW2 SOL 4149 27.000 14.500 68.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14025 ATOM 14021 OW SOL 4150 29.410 6.770 70.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14026 ATOM 14022 HW1 SOL 4150 29.400 6.190 70.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14027 ATOM 14023 HW2 SOL 4150 30.290 7.220 70.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14028 ATOM 14024 OW SOL 4151 23.980 12.710 65.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14029 ATOM 14025 HW1 SOL 4151 24.830 13.240 65.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14030 ATOM 14026 HW2 SOL 4151 23.220 13.280 65.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14031 ATOM 14027 OW SOL 4152 27.630 5.320 64.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14032 ATOM 14028 HW1 SOL 4152 27.370 4.840 64.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14033 ATOM 14029 HW2 SOL 4152 27.630 4.670 65.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14034 ATOM 14030 OW SOL 4153 22.790 0.270 61.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14035 ATOM 14031 HW1 SOL 4153 22.470 0.160 62.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14036 ATOM 14032 HW2 SOL 4153 22.680 1.230 60.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14037 ATOM 14033 OW SOL 4154 31.620 12.200 54.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14038 ATOM 14034 HW1 SOL 4154 31.880 13.120 54.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14039 ATOM 14035 HW2 SOL 4154 31.250 11.680 55.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14040 ATOM 14036 OW SOL 4155 19.960 70.140 59.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14041 ATOM 14037 HW1 SOL 4155 19.570 71.010 59.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14042 ATOM 14038 HW2 SOL 4155 20.010 70.160 60.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14043 ATOM 14039 OW SOL 4156 26.920 2.540 61.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14044 ATOM 14040 HW1 SOL 4156 26.410 3.070 60.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14045 ATOM 14041 HW2 SOL 4156 27.820 2.940 61.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14046 ATOM 14042 OW SOL 4157 28.380 8.560 72.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14047 ATOM 14043 HW1 SOL 4157 27.820 8.660 73.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14048 ATOM 14044 HW2 SOL 4157 27.860 8.050 71.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14049 ATOM 14045 OW SOL 4158 28.270 16.010 63.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14050 ATOM 14046 HW1 SOL 4158 28.980 16.690 63.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14051 ATOM 14047 HW2 SOL 4158 28.060 15.550 62.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14052 ATOM 14048 OW SOL 4159 21.930 9.650 62.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14053 ATOM 14049 HW1 SOL 4159 21.130 9.460 62.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14054 ATOM 14050 HW2 SOL 4159 21.630 9.990 61.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14055 ATOM 14051 OW SOL 4160 30.150 17.950 62.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14056 ATOM 14052 HW1 SOL 4160 30.690 18.350 61.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14057 ATOM 14053 HW2 SOL 4160 29.330 18.490 62.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14058 ATOM 14054 OW SOL 4161 27.830 3.260 56.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14059 ATOM 14055 HW1 SOL 4161 27.160 2.740 56.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14060 ATOM 14056 HW2 SOL 4161 28.550 3.600 57.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14061 ATOM 14057 OW SOL 4162 19.880 4.060 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14062 ATOM 14058 HW1 SOL 4162 20.650 4.160 69.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14063 ATOM 14059 HW2 SOL 4162 19.800 4.890 70.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14064 ATOM 14060 OW SOL 4163 24.630 0.700 66.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14065 ATOM 14061 HW1 SOL 4163 25.440 0.140 66.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14066 ATOM 14062 HW2 SOL 4163 23.860 0.320 67.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14067 ATOM 14063 OW SOL 4164 26.000 3.740 63.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14068 ATOM 14064 HW1 SOL 4164 25.420 4.500 63.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14069 ATOM 14065 HW2 SOL 4164 26.260 3.200 62.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14070 ATOM 14066 OW SOL 4165 30.250 2.550 63.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14071 ATOM 14067 HW1 SOL 4165 30.320 3.250 64.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14072 ATOM 14068 HW2 SOL 4165 30.060 1.660 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14073 ATOM 14069 OW SOL 4166 31.130 11.660 66.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14074 ATOM 14070 HW1 SOL 4166 30.480 12.380 66.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14075 ATOM 14071 HW2 SOL 4166 30.720 10.770 66.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14076 ATOM 14072 OW SOL 4167 31.950 7.080 66.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14077 ATOM 14073 HW1 SOL 4167 31.310 6.320 66.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14078 ATOM 14074 HW2 SOL 4167 32.420 7.070 67.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14079 ATOM 14075 OW SOL 4168 35.810 6.780 56.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14080 ATOM 14076 HW1 SOL 4168 35.970 6.490 57.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14081 ATOM 14077 HW2 SOL 4168 36.530 6.400 56.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14082 ATOM 14078 OW SOL 4169 22.210 13.280 57.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14083 ATOM 14079 HW1 SOL 4169 21.390 12.980 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14084 ATOM 14080 HW2 SOL 4169 22.070 13.130 56.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14085 ATOM 14081 OW SOL 4170 35.010 13.790 60.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14086 ATOM 14082 HW1 SOL 4170 35.650 13.180 60.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14087 ATOM 14083 HW2 SOL 4170 35.090 14.710 60.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14088 ATOM 14084 OW SOL 4171 30.380 6.410 56.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14089 ATOM 14085 HW1 SOL 4171 29.850 5.920 57.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14090 ATOM 14086 HW2 SOL 4171 31.310 6.540 56.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14091 ATOM 14087 OW SOL 4172 20.580 0.100 59.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14092 ATOM 14088 HW1 SOL 4172 20.860 -0.170 58.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14093 ATOM 14089 HW2 SOL 4172 21.390 0.230 59.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14094 ATOM 14090 OW SOL 4173 37.840 11.190 71.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14095 ATOM 14091 HW1 SOL 4173 37.930 12.130 71.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14096 ATOM 14092 HW2 SOL 4173 37.720 11.200 72.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14097 ATOM 14093 OW SOL 4174 28.170 12.850 69.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14098 ATOM 14094 HW1 SOL 4174 27.230 12.590 68.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14099 ATOM 14095 HW2 SOL 4174 28.500 12.360 69.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14100 ATOM 14096 OW SOL 4175 29.600 13.830 67.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14101 ATOM 14097 HW1 SOL 4175 29.070 13.520 67.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14102 ATOM 14098 HW2 SOL 4175 28.970 14.090 66.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14103 ATOM 14099 OW SOL 4176 34.380 9.880 66.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14104 ATOM 14100 HW1 SOL 4176 33.740 10.290 67.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14105 ATOM 14101 HW2 SOL 4176 33.880 9.270 65.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14106 ATOM 14102 OW SOL 4177 26.420 0.830 69.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14107 ATOM 14103 HW1 SOL 4177 27.260 1.030 69.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14108 ATOM 14104 HW2 SOL 4177 26.650 0.320 68.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14109 ATOM 14105 OW SOL 4178 24.870 8.500 59.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14110 ATOM 14106 HW1 SOL 4178 24.830 8.680 60.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14111 ATOM 14107 HW2 SOL 4178 25.370 7.650 59.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14112 ATOM 14108 OW SOL 4179 21.120 7.160 68.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14113 ATOM 14109 HW1 SOL 4179 21.930 7.250 69.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14114 ATOM 14110 HW2 SOL 4179 21.090 6.250 68.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14115 ATOM 14111 OW SOL 4180 29.130 3.860 70.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14116 ATOM 14112 HW1 SOL 4180 29.390 3.940 71.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14117 ATOM 14113 HW2 SOL 4180 28.910 4.760 69.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14118 ATOM 14114 OW SOL 4181 15.310 15.320 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14119 ATOM 14115 HW1 SOL 4181 15.020 16.260 70.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14120 ATOM 14116 HW2 SOL 4181 16.310 15.270 70.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14121 ATOM 14117 OW SOL 4182 21.630 11.060 59.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14122 ATOM 14118 HW1 SOL 4182 21.010 11.710 59.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14123 ATOM 14119 HW2 SOL 4182 22.230 10.650 59.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14124 ATOM 14120 OW SOL 4183 22.900 2.990 60.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14125 ATOM 14121 HW1 SOL 4183 23.630 3.310 59.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14126 ATOM 14122 HW2 SOL 4183 22.460 3.770 60.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14127 ATOM 14123 OW SOL 4184 28.910 12.990 60.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14128 ATOM 14124 HW1 SOL 4184 29.620 13.680 60.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14129 ATOM 14125 HW2 SOL 4184 28.050 13.430 60.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14130 ATOM 14126 OW SOL 4185 31.990 14.970 67.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14131 ATOM 14127 HW1 SOL 4185 32.420 14.580 68.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14132 ATOM 14128 HW2 SOL 4185 31.180 14.440 67.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14133 ATOM 14129 OW SOL 4186 32.580 6.580 58.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14134 ATOM 14130 HW1 SOL 4186 32.440 7.220 58.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14135 ATOM 14131 HW2 SOL 4186 33.540 6.590 57.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14136 ATOM 14132 OW SOL 4187 22.070 16.650 68.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14137 ATOM 14133 HW1 SOL 4187 21.400 16.650 67.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14138 ATOM 14134 HW2 SOL 4187 22.840 17.230 68.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14139 ATOM 14135 OW SOL 4188 22.320 10.240 71.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14140 ATOM 14136 HW1 SOL 4188 21.500 9.670 71.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14141 ATOM 14137 HW2 SOL 4188 22.890 9.900 72.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14142 ATOM 14138 OW SOL 4189 34.270 7.950 71.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14143 ATOM 14139 HW1 SOL 4189 34.040 8.740 72.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14144 ATOM 14140 HW2 SOL 4189 35.250 7.950 71.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14145 ATOM 14141 OW SOL 4190 22.970 7.690 66.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14146 ATOM 14142 HW1 SOL 4190 23.280 8.620 66.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14147 ATOM 14143 HW2 SOL 4190 22.400 7.710 67.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14148 ATOM 14144 OW SOL 4191 30.030 9.230 66.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14149 ATOM 14145 HW1 SOL 4191 29.250 9.130 66.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14150 ATOM 14146 HW2 SOL 4191 30.740 8.590 66.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14151 ATOM 14147 OW SOL 4192 29.480 4.640 58.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14152 ATOM 14148 HW1 SOL 4192 30.460 4.460 58.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14153 ATOM 14149 HW2 SOL 4192 29.110 4.570 59.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14154 ATOM 14150 OW SOL 4193 18.710 72.520 68.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14155 ATOM 14151 HW1 SOL 4193 19.050 72.910 69.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14156 ATOM 14152 HW2 SOL 4193 19.320 71.780 67.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14157 ATOM 14153 OW SOL 4194 18.470 12.850 67.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14158 ATOM 14154 HW1 SOL 4194 19.110 12.450 68.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14159 ATOM 14155 HW2 SOL 4194 17.680 13.220 68.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14160 ATOM 14156 OW SOL 4195 24.160 5.240 65.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14161 ATOM 14157 HW1 SOL 4195 24.340 5.340 64.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14162 ATOM 14158 HW2 SOL 4195 23.830 6.120 65.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14163 ATOM 14159 OW SOL 4196 21.880 0.200 63.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14164 ATOM 14160 HW1 SOL 4196 21.020 0.130 64.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14165 ATOM 14161 HW2 SOL 4196 22.380 1.010 64.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14166 ATOM 14162 OW SOL 4197 32.090 3.860 58.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14167 ATOM 14163 HW1 SOL 4197 32.580 3.470 57.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14168 ATOM 14164 HW2 SOL 4197 32.350 4.820 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14169 ATOM 14165 OW SOL 4198 27.300 7.950 65.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14170 ATOM 14166 HW1 SOL 4198 27.190 8.140 66.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14171 ATOM 14167 HW2 SOL 4198 27.100 6.980 65.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14172 ATOM 14168 OW SOL 4199 34.440 15.870 71.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14173 ATOM 14169 HW1 SOL 4199 33.670 16.470 71.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14174 ATOM 14170 HW2 SOL 4199 35.190 16.410 70.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14175 ATOM 14171 OW SOL 4200 32.230 1.880 55.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14176 ATOM 14172 HW1 SOL 4200 31.950 1.650 54.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14177 ATOM 14173 HW2 SOL 4200 32.060 1.090 56.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14178 ATOM 14174 OW SOL 4201 31.750 9.800 56.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14179 ATOM 14175 HW1 SOL 4201 31.060 9.390 57.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14180 ATOM 14176 HW2 SOL 4201 31.450 9.720 55.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14181 ATOM 14177 OW SOL 4202 27.590 14.150 64.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14182 ATOM 14178 HW1 SOL 4202 27.660 13.250 64.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14183 ATOM 14179 HW2 SOL 4202 28.040 14.840 64.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14184 ATOM 14180 OW SOL 4203 20.800 7.310 64.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14185 ATOM 14181 HW1 SOL 4203 21.630 7.430 65.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14186 ATOM 14182 HW2 SOL 4203 20.690 6.340 64.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14187 ATOM 14183 OW SOL 4204 21.440 3.240 65.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14188 ATOM 14184 HW1 SOL 4204 21.200 2.400 65.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14189 ATOM 14185 HW2 SOL 4204 22.390 3.180 64.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14190 ATOM 14186 OW SOL 4205 28.780 1.210 70.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14191 ATOM 14187 HW1 SOL 4205 29.570 0.590 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14192 ATOM 14188 HW2 SOL 4205 29.030 2.090 70.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14193 ATOM 14189 OW SOL 4206 16.910 13.050 55.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14194 ATOM 14190 HW1 SOL 4206 16.640 13.910 54.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14195 ATOM 14191 HW2 SOL 4206 16.090 12.560 55.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14196 ATOM 14192 OW SOL 4207 19.230 18.350 64.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14197 ATOM 14193 HW1 SOL 4207 19.110 18.070 65.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14198 ATOM 14194 HW2 SOL 4207 20.210 18.360 64.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14199 ATOM 14195 OW SOL 4208 21.320 14.960 63.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14200 ATOM 14196 HW1 SOL 4208 21.340 14.110 63.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14201 ATOM 14197 HW2 SOL 4208 20.390 15.330 63.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14202 ATOM 14198 OW SOL 4209 26.910 8.040 68.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14203 ATOM 14199 HW1 SOL 4209 27.770 7.760 69.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14204 ATOM 14200 HW2 SOL 4209 26.310 7.250 68.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14205 ATOM 14201 OW SOL 4210 19.240 4.580 64.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14206 ATOM 14202 HW1 SOL 4210 20.040 4.180 64.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14207 ATOM 14203 HW2 SOL 4210 19.300 4.410 63.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14208 ATOM 14204 OW SOL 4211 24.990 3.900 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14209 ATOM 14205 HW1 SOL 4211 25.360 3.170 58.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14210 ATOM 14206 HW2 SOL 4211 25.520 4.740 58.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14211 ATOM 14207 OW SOL 4212 32.490 7.430 69.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14212 ATOM 14208 HW1 SOL 4212 32.680 8.410 69.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14213 ATOM 14209 HW2 SOL 4212 33.280 6.930 69.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14214 ATOM 14210 OW SOL 4213 19.920 14.310 72.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14215 ATOM 14211 HW1 SOL 4213 19.080 14.420 72.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14216 ATOM 14212 HW2 SOL 4213 20.440 15.170 72.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14217 ATOM 14213 OW SOL 4214 25.210 3.640 67.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14218 ATOM 14214 HW1 SOL 4214 25.000 2.670 67.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14219 ATOM 14215 HW2 SOL 4214 24.860 4.160 66.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14220 ATOM 14216 OW SOL 4215 29.110 17.020 68.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14221 ATOM 14217 HW1 SOL 4215 28.270 16.670 68.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14222 ATOM 14218 HW2 SOL 4215 29.790 17.210 68.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14223 ATOM 14219 OW SOL 4216 23.800 5.470 57.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14224 ATOM 14220 HW1 SOL 4216 22.910 5.710 57.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14225 ATOM 14221 HW2 SOL 4216 24.120 4.620 57.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14226 ATOM 14222 OW SOL 4217 21.340 11.480 69.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14227 ATOM 14223 HW1 SOL 4217 21.960 11.060 70.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14228 ATOM 14224 HW2 SOL 4217 21.180 10.860 68.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14229 ATOM 14225 OW SOL 4218 29.950 10.200 69.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14230 ATOM 14226 HW1 SOL 4218 29.800 9.590 68.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14231 ATOM 14227 HW2 SOL 4218 29.100 10.680 69.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14232 ATOM 14228 OW SOL 4219 31.950 8.380 59.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14233 ATOM 14229 HW1 SOL 4219 32.720 8.970 60.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14234 ATOM 14230 HW2 SOL 4219 31.110 8.770 60.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14235 ATOM 14231 OW SOL 4220 35.270 15.090 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14236 ATOM 14232 HW1 SOL 4220 35.140 15.920 68.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14237 ATOM 14233 HW2 SOL 4220 34.870 15.220 66.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14238 ATOM 14234 OW SOL 4221 31.100 17.590 67.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14239 ATOM 14235 HW1 SOL 4221 31.680 18.050 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14240 ATOM 14236 HW2 SOL 4221 31.320 16.620 67.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14241 ATOM 14237 OW SOL 4222 18.900 10.990 65.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14242 ATOM 14238 HW1 SOL 4222 18.430 11.710 66.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14243 ATOM 14239 HW2 SOL 4222 19.320 10.350 66.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14244 ATOM 14240 OW SOL 4223 34.370 1.010 59.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14245 ATOM 14241 HW1 SOL 4223 34.140 1.550 58.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14246 ATOM 14242 HW2 SOL 4223 35.150 0.410 59.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14247 ATOM 14243 OW SOL 4224 31.140 14.500 59.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14248 ATOM 14244 HW1 SOL 4224 31.390 13.540 60.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14249 ATOM 14245 HW2 SOL 4224 31.970 15.030 59.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14250 ATOM 14246 OW SOL 4225 30.650 9.420 63.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14251 ATOM 14247 HW1 SOL 4225 31.530 9.230 63.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14252 ATOM 14248 HW2 SOL 4225 30.790 10.020 62.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14253 ATOM 14249 OW SOL 4226 25.510 12.510 69.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14254 ATOM 14250 HW1 SOL 4226 25.500 13.280 69.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14255 ATOM 14251 HW2 SOL 4226 24.670 12.520 68.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14256 ATOM 14252 OW SOL 4227 24.270 15.110 56.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14257 ATOM 14253 HW1 SOL 4227 24.320 15.620 56.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14258 ATOM 14254 HW2 SOL 4227 23.730 14.280 56.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14259 ATOM 14255 OW SOL 4228 32.900 18.460 71.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14260 ATOM 14256 HW1 SOL 4228 32.030 18.300 71.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14261 ATOM 14257 HW2 SOL 4228 32.960 19.410 72.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14262 ATOM 14258 OW SOL 4229 34.720 1.470 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14263 ATOM 14259 HW1 SOL 4229 35.310 0.670 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14264 ATOM 14260 HW2 SOL 4229 34.210 1.690 63.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14265 ATOM 14261 OW SOL 4230 17.820 3.350 59.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14266 ATOM 14262 HW1 SOL 4230 16.890 3.680 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14267 ATOM 14263 HW2 SOL 4230 17.810 2.820 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14268 ATOM 14264 OW SOL 4231 30.100 14.790 56.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14269 ATOM 14265 HW1 SOL 4231 30.100 13.960 56.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14270 ATOM 14266 HW2 SOL 4231 29.440 14.690 55.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14271 ATOM 14267 OW SOL 4232 24.790 9.640 68.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14272 ATOM 14268 HW1 SOL 4232 25.540 8.990 68.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14273 ATOM 14269 HW2 SOL 4232 25.150 10.560 68.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14274 ATOM 14270 OW SOL 4233 26.570 6.300 59.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14275 ATOM 14271 HW1 SOL 4233 26.850 6.660 58.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14276 ATOM 14272 HW2 SOL 4233 27.370 6.060 59.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14277 ATOM 14273 OW SOL 4234 32.420 14.790 54.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14278 ATOM 14274 HW1 SOL 4234 31.510 14.890 55.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14279 ATOM 14275 HW2 SOL 4234 32.530 15.460 54.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14280 ATOM 14276 OW SOL 4235 17.820 14.520 70.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14281 ATOM 14277 HW1 SOL 4235 18.380 14.060 70.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14282 ATOM 14278 HW2 SOL 4235 18.380 15.200 69.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14283 ATOM 14279 OW SOL 4236 34.910 11.860 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14284 ATOM 14280 HW1 SOL 4236 35.050 12.120 71.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14285 ATOM 14281 HW2 SOL 4236 34.360 12.550 70.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14286 ATOM 14282 OW SOL 4237 28.170 11.750 63.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14287 ATOM 14283 HW1 SOL 4237 27.270 11.300 63.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14288 ATOM 14284 HW2 SOL 4237 28.870 11.100 63.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14289 ATOM 14285 OW SOL 4238 27.030 72.060 66.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14290 ATOM 14286 HW1 SOL 4238 27.040 71.150 66.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14291 ATOM 14287 HW2 SOL 4238 27.940 72.470 66.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14292 ATOM 14288 OW SOL 4239 23.670 13.700 59.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14293 ATOM 14289 HW1 SOL 4239 24.190 12.900 59.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14294 ATOM 14290 HW2 SOL 4239 22.910 13.840 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14295 ATOM 14291 OW SOL 4240 34.850 4.020 69.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14296 ATOM 14292 HW1 SOL 4240 35.710 4.530 69.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14297 ATOM 14293 HW2 SOL 4240 34.730 3.770 68.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14298 ATOM 14294 OW SOL 4241 19.960 12.920 58.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14299 ATOM 14295 HW1 SOL 4241 19.280 12.210 58.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14300 ATOM 14296 HW2 SOL 4241 19.510 13.810 58.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14301 ATOM 14297 OW SOL 4242 19.370 11.800 72.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14302 ATOM 14298 HW1 SOL 4242 19.710 12.740 72.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14303 ATOM 14299 HW2 SOL 4242 19.520 11.380 73.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14304 ATOM 14300 OW SOL 4243 24.400 2.550 70.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14305 ATOM 14301 HW1 SOL 4243 25.110 2.010 69.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14306 ATOM 14302 HW2 SOL 4243 24.820 3.350 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14307 ATOM 14303 OW SOL 4244 19.940 2.790 51.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14308 ATOM 14304 HW1 SOL 4244 19.870 2.030 51.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14309 ATOM 14305 HW2 SOL 4244 19.140 2.800 52.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14310 ATOM 14306 OW SOL 4245 33.140 10.170 69.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14311 ATOM 14307 HW1 SOL 4245 32.500 10.910 69.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14312 ATOM 14308 HW2 SOL 4245 33.910 10.520 69.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14313 ATOM 14309 OW SOL 4246 18.250 1.650 57.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14314 ATOM 14310 HW1 SOL 4246 18.960 2.280 57.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14315 ATOM 14311 HW2 SOL 4246 18.670 0.830 57.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14316 ATOM 14312 OW SOL 4247 29.940 12.510 57.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14317 ATOM 14313 HW1 SOL 4247 29.330 11.890 57.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14318 ATOM 14314 HW2 SOL 4247 29.760 12.430 58.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14319 ATOM 14315 OW SOL 4248 23.540 7.490 69.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14320 ATOM 14316 HW1 SOL 4248 23.870 8.430 70.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14321 ATOM 14317 HW2 SOL 4248 24.270 6.910 69.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14322 ATOM 14318 OW SOL 4249 32.290 18.820 69.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14323 ATOM 14319 HW1 SOL 4249 33.260 19.080 69.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14324 ATOM 14320 HW2 SOL 4249 31.770 19.290 69.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14325 ATOM 14321 OW SOL 4250 25.930 4.910 71.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14326 ATOM 14322 HW1 SOL 4250 26.380 4.020 71.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14327 ATOM 14323 HW2 SOL 4250 25.930 5.400 72.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14328 ATOM 14324 OW SOL 4251 19.530 16.530 69.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14329 ATOM 14325 HW1 SOL 4251 19.070 17.110 68.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14330 ATOM 14326 HW2 SOL 4251 20.490 16.430 69.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14331 ATOM 14327 OW SOL 4252 36.510 8.530 67.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14332 ATOM 14328 HW1 SOL 4252 36.300 7.580 67.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14333 ATOM 14329 HW2 SOL 4252 35.680 9.070 67.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14334 ATOM 14330 OW SOL 4253 29.950 3.160 61.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14335 ATOM 14331 HW1 SOL 4253 30.170 2.380 60.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14336 ATOM 14332 HW2 SOL 4253 30.170 2.940 62.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14337 ATOM 14333 OW SOL 4254 24.440 5.880 62.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14338 ATOM 14334 HW1 SOL 4254 24.360 6.870 62.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14339 ATOM 14335 HW2 SOL 4254 23.810 5.450 62.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14340 ATOM 14336 OW SOL 4255 36.920 8.700 70.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14341 ATOM 14337 HW1 SOL 4255 37.050 9.640 70.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14342 ATOM 14338 HW2 SOL 4255 36.820 8.680 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14343 ATOM 14339 OW SOL 4256 25.850 12.580 56.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14344 ATOM 14340 HW1 SOL 4256 25.830 12.610 57.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14345 ATOM 14341 HW2 SOL 4256 26.640 12.030 56.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14346 ATOM 14342 OW SOL 4257 25.180 15.210 65.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14347 ATOM 14343 HW1 SOL 4257 25.010 15.940 65.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14348 ATOM 14344 HW2 SOL 4257 26.100 14.840 65.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14349 ATOM 14345 OW SOL 4258 26.230 9.980 64.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14350 ATOM 14346 HW1 SOL 4258 26.800 9.300 64.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14351 ATOM 14347 HW2 SOL 4258 25.400 10.130 64.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14352 ATOM 14348 OW SOL 4259 28.370 11.090 55.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14353 ATOM 14349 HW1 SOL 4259 28.360 11.480 54.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14354 ATOM 14350 HW2 SOL 4259 28.090 10.130 55.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14355 ATOM 14351 OW SOL 4260 36.460 15.370 65.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14356 ATOM 14352 HW1 SOL 4260 35.560 14.940 65.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14357 ATOM 14353 HW2 SOL 4260 37.150 14.680 64.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14358 ATOM 14354 OW SOL 4261 18.400 11.870 62.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14359 ATOM 14355 HW1 SOL 4261 18.760 11.480 63.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14360 ATOM 14356 HW2 SOL 4261 18.590 11.240 62.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14361 ATOM 14357 OW SOL 4262 25.200 13.760 71.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14362 ATOM 14358 HW1 SOL 4262 24.280 13.570 72.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14363 ATOM 14359 HW2 SOL 4262 25.220 14.640 71.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14364 ATOM 14360 OW SOL 4263 34.000 3.100 67.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14365 ATOM 14361 HW1 SOL 4263 34.310 2.270 67.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14366 ATOM 14362 HW2 SOL 4263 33.500 2.850 66.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14367 ATOM 14363 OW SOL 4264 19.770 3.170 61.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14368 ATOM 14364 HW1 SOL 4264 19.770 2.280 62.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14369 ATOM 14365 HW2 SOL 4264 19.130 3.140 61.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14370 ATOM 14366 OW SOL 4265 33.930 14.460 65.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14371 ATOM 14367 HW1 SOL 4265 33.400 14.640 64.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14372 ATOM 14368 HW2 SOL 4265 33.300 14.210 65.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14373 ATOM 14369 OW SOL 4266 21.730 4.670 67.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14374 ATOM 14370 HW1 SOL 4266 22.730 4.660 67.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14375 ATOM 14371 HW2 SOL 4266 21.440 4.160 66.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14376 ATOM 14372 OW SOL 4267 24.380 14.870 62.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14377 ATOM 14373 HW1 SOL 4267 24.100 14.580 61.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14378 ATOM 14374 HW2 SOL 4267 23.580 14.830 62.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14379 ATOM 14375 OW SOL 4268 31.500 3.220 68.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14380 ATOM 14376 HW1 SOL 4268 32.470 3.140 68.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14381 ATOM 14377 HW2 SOL 4268 31.390 3.660 69.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14382 ATOM 14378 OW SOL 4269 29.660 1.530 66.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14383 ATOM 14379 HW1 SOL 4269 30.000 0.590 67.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14384 ATOM 14380 HW2 SOL 4269 30.280 2.150 67.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14385 ATOM 14381 OW SOL 4270 25.860 11.340 58.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14386 ATOM 14382 HW1 SOL 4270 25.600 10.390 59.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14387 ATOM 14383 HW2 SOL 4270 26.570 11.610 59.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14388 ATOM 14384 OW SOL 4271 24.480 15.860 70.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14389 ATOM 14385 HW1 SOL 4271 23.590 15.680 69.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14390 ATOM 14386 HW2 SOL 4271 25.060 16.350 69.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14391 ATOM 14387 OW SOL 4272 31.630 72.220 57.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14392 ATOM 14388 HW1 SOL 4272 32.560 71.970 56.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14393 ATOM 14389 HW2 SOL 4272 30.990 71.580 56.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14394 ATOM 14390 OW SOL 4273 31.630 5.350 63.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14395 ATOM 14391 HW1 SOL 4273 31.040 5.960 63.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14396 ATOM 14392 HW2 SOL 4273 31.250 5.220 64.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14397 ATOM 14393 OW SOL 4274 32.920 2.630 62.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14398 ATOM 14394 HW1 SOL 4274 32.030 2.960 63.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14399 ATOM 14395 HW2 SOL 4274 33.300 3.280 62.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14400 ATOM 14396 OW SOL 4275 18.060 10.810 57.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14401 ATOM 14397 HW1 SOL 4275 18.750 10.150 57.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14402 ATOM 14398 HW2 SOL 4275 17.410 10.980 57.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14403 ATOM 14399 OW SOL 4276 26.230 15.490 58.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14404 ATOM 14400 HW1 SOL 4276 25.590 15.200 58.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14405 ATOM 14401 HW2 SOL 4276 26.050 16.450 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14406 ATOM 14402 OW SOL 4277 19.060 26.990 0.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14407 ATOM 14403 HW1 SOL 4277 18.670 26.060 0.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14408 ATOM 14404 HW2 SOL 4277 19.830 27.020 -0.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14409 ATOM 14405 OW SOL 4278 21.180 21.670 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14410 ATOM 14406 HW1 SOL 4278 21.490 21.180 9.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14411 ATOM 14407 HW2 SOL 4278 20.180 21.570 8.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14412 ATOM 14408 OW SOL 4279 19.190 22.120 3.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14413 ATOM 14409 HW1 SOL 4279 18.550 21.360 3.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14414 ATOM 14410 HW2 SOL 4279 19.860 22.080 2.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14415 ATOM 14411 OW SOL 4280 24.940 29.630 10.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14416 ATOM 14412 HW1 SOL 4280 24.100 30.160 10.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14417 ATOM 14413 HW2 SOL 4280 25.490 30.050 9.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14418 ATOM 14414 OW SOL 4281 34.750 32.950 7.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14419 ATOM 14415 HW1 SOL 4281 33.780 32.940 7.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14420 ATOM 14416 HW2 SOL 4281 34.920 33.650 6.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14421 ATOM 14417 OW SOL 4282 27.650 27.260 3.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14422 ATOM 14418 HW1 SOL 4282 27.500 28.030 3.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14423 ATOM 14419 HW2 SOL 4282 28.140 27.580 4.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14424 ATOM 14420 OW SOL 4283 34.910 27.650 1.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14425 ATOM 14421 HW1 SOL 4283 34.790 27.230 0.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14426 ATOM 14422 HW2 SOL 4283 34.060 28.070 1.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14427 ATOM 14423 OW SOL 4284 27.040 27.760 10.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14428 ATOM 14424 HW1 SOL 4284 26.180 28.250 10.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14429 ATOM 14425 HW2 SOL 4284 27.800 28.300 10.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14430 ATOM 14426 OW SOL 4285 27.080 25.280 18.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14431 ATOM 14427 HW1 SOL 4285 26.960 25.720 18.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14432 ATOM 14428 HW2 SOL 4285 27.410 25.950 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14433 ATOM 14429 OW SOL 4286 25.640 29.110 5.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14434 ATOM 14430 HW1 SOL 4286 26.450 28.780 5.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14435 ATOM 14431 HW2 SOL 4286 24.850 29.040 5.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14436 ATOM 14432 OW SOL 4287 26.880 29.070 18.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14437 ATOM 14433 HW1 SOL 4287 26.930 29.720 19.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14438 ATOM 14434 HW2 SOL 4287 25.930 28.930 18.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14439 ATOM 14435 OW SOL 4288 22.870 32.140 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14440 ATOM 14436 HW1 SOL 4288 21.910 32.060 8.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14441 ATOM 14437 HW2 SOL 4288 23.260 32.970 8.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14442 ATOM 14438 OW SOL 4289 33.270 32.990 14.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14443 ATOM 14439 HW1 SOL 4289 33.050 33.610 13.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14444 ATOM 14440 HW2 SOL 4289 32.460 32.860 14.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14445 ATOM 14441 OW SOL 4290 24.660 19.850 14.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14446 ATOM 14442 HW1 SOL 4290 25.520 19.360 14.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14447 ATOM 14443 HW2 SOL 4290 23.990 19.620 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14448 ATOM 14444 OW SOL 4291 34.090 24.400 7.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14449 ATOM 14445 HW1 SOL 4291 33.850 24.920 6.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14450 ATOM 14446 HW2 SOL 4291 34.510 25.000 7.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14451 ATOM 14447 OW SOL 4292 21.150 34.450 6.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14452 ATOM 14448 HW1 SOL 4292 20.660 35.260 6.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14453 ATOM 14449 HW2 SOL 4292 22.110 34.690 5.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14454 ATOM 14450 OW SOL 4293 31.180 29.450 16.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14455 ATOM 14451 HW1 SOL 4293 31.850 29.750 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14456 ATOM 14452 HW2 SOL 4293 30.350 29.140 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14457 ATOM 14453 OW SOL 4294 19.170 32.780 5.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14458 ATOM 14454 HW1 SOL 4294 19.790 33.430 5.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14459 ATOM 14455 HW2 SOL 4294 19.030 32.000 5.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14460 ATOM 14456 OW SOL 4295 21.720 28.980 9.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14461 ATOM 14457 HW1 SOL 4295 21.630 28.180 8.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14462 ATOM 14458 HW2 SOL 4295 21.170 29.730 9.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14463 ATOM 14459 OW SOL 4296 23.790 36.350 13.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14464 ATOM 14460 HW1 SOL 4296 23.100 35.890 13.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14465 ATOM 14461 HW2 SOL 4296 24.640 35.830 13.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14466 ATOM 14462 OW SOL 4297 22.560 28.190 1.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14467 ATOM 14463 HW1 SOL 4297 22.590 27.340 1.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14468 ATOM 14464 HW2 SOL 4297 23.350 28.230 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14469 ATOM 14465 OW SOL 4298 36.600 19.450 13.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14470 ATOM 14466 HW1 SOL 4298 36.800 20.420 13.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14471 ATOM 14467 HW2 SOL 4298 37.230 18.910 14.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14472 ATOM 14468 OW SOL 4299 20.060 23.960 6.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14473 ATOM 14469 HW1 SOL 4299 19.500 24.030 5.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14474 ATOM 14470 HW2 SOL 4299 19.500 24.110 7.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14475 ATOM 14471 OW SOL 4300 38.070 33.410 0.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14476 ATOM 14472 HW1 SOL 4300 38.730 33.450 -0.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14477 ATOM 14473 HW2 SOL 4300 38.270 34.140 0.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14478 ATOM 14474 OW SOL 4301 17.590 34.060 1.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14479 ATOM 14475 HW1 SOL 4301 17.030 33.280 1.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14480 ATOM 14476 HW2 SOL 4301 18.530 33.940 1.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14481 ATOM 14477 OW SOL 4302 35.550 27.260 6.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14482 ATOM 14478 HW1 SOL 4302 35.470 26.670 6.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14483 ATOM 14479 HW2 SOL 4302 35.590 28.220 6.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14484 ATOM 14480 OW SOL 4303 34.560 30.610 4.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14485 ATOM 14481 HW1 SOL 4303 35.280 30.800 3.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14486 ATOM 14482 HW2 SOL 4303 34.980 30.450 5.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14487 ATOM 14483 OW SOL 4304 21.200 25.520 14.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14488 ATOM 14484 HW1 SOL 4304 21.850 25.840 13.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14489 ATOM 14485 HW2 SOL 4304 20.320 25.330 14.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14490 ATOM 14486 OW SOL 4305 24.910 32.310 6.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14491 ATOM 14487 HW1 SOL 4305 24.060 31.780 6.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14492 ATOM 14488 HW2 SOL 4305 25.170 32.580 5.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14493 ATOM 14489 OW SOL 4306 31.020 30.470 14.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14494 ATOM 14490 HW1 SOL 4306 31.040 29.790 13.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14495 ATOM 14491 HW2 SOL 4306 30.940 30.000 15.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14496 ATOM 14492 OW SOL 4307 25.950 19.340 6.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14497 ATOM 14493 HW1 SOL 4307 25.960 20.110 6.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14498 ATOM 14494 HW2 SOL 4307 25.070 19.320 7.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14499 ATOM 14495 OW SOL 4308 21.860 28.680 12.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14500 ATOM 14496 HW1 SOL 4308 22.350 27.830 12.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14501 ATOM 14497 HW2 SOL 4308 21.900 28.830 11.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14502 ATOM 14498 OW SOL 4309 32.500 28.430 2.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14503 ATOM 14499 HW1 SOL 4309 31.580 28.060 2.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14504 ATOM 14500 HW2 SOL 4309 32.640 29.100 3.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14505 ATOM 14501 OW SOL 4310 32.480 37.140 16.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14506 ATOM 14502 HW1 SOL 4310 32.590 37.710 17.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14507 ATOM 14503 HW2 SOL 4310 31.710 36.530 16.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14508 ATOM 14504 OW SOL 4311 22.670 22.220 19.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14509 ATOM 14505 HW1 SOL 4311 22.600 23.210 19.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14510 ATOM 14506 HW2 SOL 4311 21.940 21.770 18.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14511 ATOM 14507 OW SOL 4312 32.240 32.990 8.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14512 ATOM 14508 HW1 SOL 4312 31.780 32.650 9.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14513 ATOM 14509 HW2 SOL 4312 31.580 33.090 7.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14514 ATOM 14510 OW SOL 4313 35.720 35.290 2.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14515 ATOM 14511 HW1 SOL 4313 35.630 34.570 2.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14516 ATOM 14512 HW2 SOL 4313 36.410 35.020 3.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14517 ATOM 14513 OW SOL 4314 23.940 25.560 3.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14518 ATOM 14514 HW1 SOL 4314 24.310 26.470 3.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14519 ATOM 14515 HW2 SOL 4314 23.690 25.500 4.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14520 ATOM 14516 OW SOL 4315 30.270 24.670 7.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14521 ATOM 14517 HW1 SOL 4315 30.260 24.350 7.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14522 ATOM 14518 HW2 SOL 4315 30.280 23.880 6.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14523 ATOM 14519 OW SOL 4316 35.500 32.980 1.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14524 ATOM 14520 HW1 SOL 4316 36.470 32.940 1.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14525 ATOM 14521 HW2 SOL 4316 35.010 33.490 0.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14526 ATOM 14522 OW SOL 4317 26.470 22.330 16.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14527 ATOM 14523 HW1 SOL 4317 25.520 22.220 16.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14528 ATOM 14524 HW2 SOL 4317 26.670 21.690 17.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14529 ATOM 14525 OW SOL 4318 32.080 21.680 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14530 ATOM 14526 HW1 SOL 4318 32.230 21.840 18.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14531 ATOM 14527 HW2 SOL 4318 32.910 21.290 16.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14532 ATOM 14528 OW SOL 4319 28.450 26.680 15.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14533 ATOM 14529 HW1 SOL 4319 28.910 25.870 15.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14534 ATOM 14530 HW2 SOL 4319 27.920 27.120 15.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14535 ATOM 14531 OW SOL 4320 28.850 20.970 11.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14536 ATOM 14532 HW1 SOL 4320 27.970 21.040 10.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14537 ATOM 14533 HW2 SOL 4320 29.400 20.260 10.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14538 ATOM 14534 OW SOL 4321 26.570 24.850 2.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14539 ATOM 14535 HW1 SOL 4321 27.110 25.620 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14540 ATOM 14536 HW2 SOL 4321 25.600 25.080 2.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14541 ATOM 14537 OW SOL 4322 18.340 23.880 8.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14542 ATOM 14538 HW1 SOL 4322 17.730 23.100 8.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14543 ATOM 14539 HW2 SOL 4322 17.840 24.730 8.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14544 ATOM 14540 OW SOL 4323 19.280 37.080 14.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14545 ATOM 14541 HW1 SOL 4323 18.910 38.010 14.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14546 ATOM 14542 HW2 SOL 4323 18.700 36.480 13.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14547 ATOM 14543 OW SOL 4324 27.390 19.610 0.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14548 ATOM 14544 HW1 SOL 4324 28.350 19.810 0.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14549 ATOM 14545 HW2 SOL 4324 27.020 19.000 1.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14550 ATOM 14546 OW SOL 4325 35.300 23.540 17.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14551 ATOM 14547 HW1 SOL 4325 35.370 24.540 17.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14552 ATOM 14548 HW2 SOL 4325 34.880 23.280 16.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14553 ATOM 14549 OW SOL 4326 31.990 30.790 4.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14554 ATOM 14550 HW1 SOL 4326 32.940 30.920 4.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14555 ATOM 14551 HW2 SOL 4326 31.870 31.040 3.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14556 ATOM 14552 OW SOL 4327 23.740 19.790 7.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14557 ATOM 14553 HW1 SOL 4327 23.070 19.960 8.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14558 ATOM 14554 HW2 SOL 4327 23.880 20.640 7.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14559 ATOM 14555 OW SOL 4328 28.770 32.830 3.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14560 ATOM 14556 HW1 SOL 4328 28.090 32.140 4.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14561 ATOM 14557 HW2 SOL 4328 28.390 33.740 4.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14562 ATOM 14558 OW SOL 4329 23.100 36.830 8.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14563 ATOM 14559 HW1 SOL 4329 23.460 35.920 8.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14564 ATOM 14560 HW2 SOL 4329 23.690 37.260 8.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14565 ATOM 14561 OW SOL 4330 35.470 28.310 9.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14566 ATOM 14562 HW1 SOL 4330 34.750 28.890 9.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14567 ATOM 14563 HW2 SOL 4330 35.310 28.190 10.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14568 ATOM 14564 OW SOL 4331 30.580 32.980 15.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14569 ATOM 14565 HW1 SOL 4331 30.700 32.020 15.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14570 ATOM 14566 HW2 SOL 4331 29.820 33.370 14.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14571 ATOM 14567 OW SOL 4332 20.110 28.990 2.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14572 ATOM 14568 HW1 SOL 4332 20.960 28.630 2.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14573 ATOM 14569 HW2 SOL 4332 19.410 28.270 2.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14574 ATOM 14570 OW SOL 4333 32.530 27.760 7.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14575 ATOM 14571 HW1 SOL 4333 32.490 27.070 8.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14576 ATOM 14572 HW2 SOL 4333 32.000 27.450 6.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14577 ATOM 14573 OW SOL 4334 24.540 31.810 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14578 ATOM 14574 HW1 SOL 4334 24.910 31.620 16.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14579 ATOM 14575 HW2 SOL 4334 23.590 31.500 17.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14580 ATOM 14576 OW SOL 4335 31.420 35.910 2.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14581 ATOM 14577 HW1 SOL 4335 31.170 36.630 2.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14582 ATOM 14578 HW2 SOL 4335 31.550 35.050 2.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14583 ATOM 14579 OW SOL 4336 22.080 23.240 15.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14584 ATOM 14580 HW1 SOL 4336 21.580 24.100 15.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14585 ATOM 14581 HW2 SOL 4336 23.010 23.360 15.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14586 ATOM 14582 OW SOL 4337 36.120 30.530 2.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14587 ATOM 14583 HW1 SOL 4337 35.800 31.350 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14588 ATOM 14584 HW2 SOL 4337 35.940 29.730 1.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14589 ATOM 14585 OW SOL 4338 23.850 36.420 5.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14590 ATOM 14586 HW1 SOL 4338 23.890 36.850 6.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14591 ATOM 14587 HW2 SOL 4338 23.960 37.120 4.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14592 ATOM 14588 OW SOL 4339 32.020 18.610 4.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14593 ATOM 14589 HW1 SOL 4339 31.660 17.720 4.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14594 ATOM 14590 HW2 SOL 4339 32.070 19.230 4.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14595 ATOM 14591 OW SOL 4340 19.620 35.430 10.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14596 ATOM 14592 HW1 SOL 4340 19.060 35.700 10.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14597 ATOM 14593 HW2 SOL 4340 19.960 36.250 11.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14598 ATOM 14594 OW SOL 4341 28.860 35.220 6.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14599 ATOM 14595 HW1 SOL 4341 29.680 34.730 6.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14600 ATOM 14596 HW2 SOL 4341 28.170 35.130 6.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14601 ATOM 14597 OW SOL 4342 22.510 25.120 5.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14602 ATOM 14598 HW1 SOL 4342 23.000 24.340 5.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14603 ATOM 14599 HW2 SOL 4342 21.560 24.870 6.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14604 ATOM 14600 OW SOL 4343 33.780 20.130 15.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14605 ATOM 14601 HW1 SOL 4343 34.760 19.970 15.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14606 ATOM 14602 HW2 SOL 4343 33.270 19.380 14.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14607 ATOM 14603 OW SOL 4344 22.940 20.250 70.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14608 ATOM 14604 HW1 SOL 4344 22.720 19.720 71.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14609 ATOM 14605 HW2 SOL 4344 22.200 20.890 70.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14610 ATOM 14606 OW SOL 4345 26.080 19.570 17.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14611 ATOM 14607 HW1 SOL 4345 26.910 19.030 17.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14612 ATOM 14608 HW2 SOL 4345 25.490 19.480 17.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14613 ATOM 14609 OW SOL 4346 26.380 32.810 10.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14614 ATOM 14610 HW1 SOL 4346 26.190 32.110 10.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14615 ATOM 14611 HW2 SOL 4346 26.250 33.720 10.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14616 ATOM 14612 OW SOL 4347 30.900 23.450 15.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14617 ATOM 14613 HW1 SOL 4347 31.350 22.710 16.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14618 ATOM 14614 HW2 SOL 4347 31.590 24.040 15.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14619 ATOM 14615 OW SOL 4348 26.280 31.190 8.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14620 ATOM 14616 HW1 SOL 4348 27.230 31.210 8.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14621 ATOM 14617 HW2 SOL 4348 25.680 31.510 7.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14622 ATOM 14618 OW SOL 4349 27.160 24.500 6.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14623 ATOM 14619 HW1 SOL 4349 26.910 23.960 5.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14624 ATOM 14620 HW2 SOL 4349 28.030 24.970 6.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14625 ATOM 14621 OW SOL 4350 25.100 20.480 4.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14626 ATOM 14622 HW1 SOL 4350 24.460 21.250 4.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14627 ATOM 14623 HW2 SOL 4350 25.370 20.290 3.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14628 ATOM 14624 OW SOL 4351 32.700 28.890 72.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14629 ATOM 14625 HW1 SOL 4351 32.890 29.090 73.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14630 ATOM 14626 HW2 SOL 4351 31.760 29.180 72.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14631 ATOM 14627 OW SOL 4352 20.120 17.080 72.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14632 ATOM 14628 HW1 SOL 4352 20.000 16.880 71.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14633 ATOM 14629 HW2 SOL 4352 20.790 17.820 72.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14634 ATOM 14630 OW SOL 4353 28.910 20.340 3.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14635 ATOM 14631 HW1 SOL 4353 29.700 20.700 3.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14636 ATOM 14632 HW2 SOL 4353 29.090 19.400 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14637 ATOM 14633 OW SOL 4354 28.430 23.810 14.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14638 ATOM 14634 HW1 SOL 4354 27.740 23.280 15.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14639 ATOM 14635 HW2 SOL 4354 29.330 23.620 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14640 ATOM 14636 OW SOL 4355 30.780 33.760 6.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14641 ATOM 14637 HW1 SOL 4355 31.390 34.530 5.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14642 ATOM 14638 HW2 SOL 4355 30.320 33.520 5.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14643 ATOM 14639 OW SOL 4356 23.230 30.080 7.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14644 ATOM 14640 HW1 SOL 4356 22.830 30.310 7.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14645 ATOM 14641 HW2 SOL 4356 23.260 29.080 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14646 ATOM 14642 OW SOL 4357 32.690 35.530 5.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14647 ATOM 14643 HW1 SOL 4357 32.480 36.440 5.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14648 ATOM 14644 HW2 SOL 4357 33.680 35.420 5.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14649 ATOM 14645 OW SOL 4358 29.260 22.360 71.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14650 ATOM 14646 HW1 SOL 4358 29.930 22.760 70.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14651 ATOM 14647 HW2 SOL 4358 29.530 22.540 72.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14652 ATOM 14648 OW SOL 4359 21.350 23.080 12.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14653 ATOM 14649 HW1 SOL 4359 22.140 23.160 12.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14654 ATOM 14650 HW2 SOL 4359 21.650 23.140 13.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14655 ATOM 14651 OW SOL 4360 24.360 21.220 11.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14656 ATOM 14652 HW1 SOL 4360 24.580 20.740 12.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14657 ATOM 14653 HW2 SOL 4360 23.450 20.930 11.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14658 ATOM 14654 OW SOL 4361 26.490 22.990 4.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14659 ATOM 14655 HW1 SOL 4361 26.570 22.010 4.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14660 ATOM 14656 HW2 SOL 4361 26.310 23.480 3.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14661 ATOM 14657 OW SOL 4362 30.340 22.450 5.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14662 ATOM 14658 HW1 SOL 4362 29.490 21.920 5.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14663 ATOM 14659 HW2 SOL 4362 30.930 22.060 6.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14664 ATOM 14660 OW SOL 4363 33.790 29.950 8.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14665 ATOM 14661 HW1 SOL 4363 33.360 29.190 8.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14666 ATOM 14662 HW2 SOL 4363 33.520 30.820 8.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14667 ATOM 14663 OW SOL 4364 32.420 25.530 9.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14668 ATOM 14664 HW1 SOL 4364 31.720 24.900 8.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14669 ATOM 14665 HW2 SOL 4364 33.270 25.030 9.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14670 ATOM 14666 OW SOL 4365 36.750 27.430 3.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14671 ATOM 14667 HW1 SOL 4365 36.330 27.410 4.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14672 ATOM 14668 HW2 SOL 4365 36.080 27.780 2.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14673 ATOM 14669 OW SOL 4366 23.660 31.720 3.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14674 ATOM 14670 HW1 SOL 4366 22.830 31.570 3.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14675 ATOM 14671 HW2 SOL 4366 23.660 31.110 2.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14676 ATOM 14672 OW SOL 4367 35.870 29.630 6.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14677 ATOM 14673 HW1 SOL 4367 36.860 29.740 6.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14678 ATOM 14674 HW2 SOL 4367 35.500 29.910 7.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14679 ATOM 14675 OW SOL 4368 31.220 23.210 69.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14680 ATOM 14676 HW1 SOL 4368 32.000 23.060 69.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14681 ATOM 14677 HW2 SOL 4368 31.510 23.760 70.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14682 ATOM 14678 OW SOL 4369 22.730 21.010 1.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14683 ATOM 14679 HW1 SOL 4369 21.990 21.640 1.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14684 ATOM 14680 HW2 SOL 4369 23.570 21.290 1.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14685 ATOM 14681 OW SOL 4370 36.920 30.750 16.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14686 ATOM 14682 HW1 SOL 4370 37.780 30.270 15.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14687 ATOM 14683 HW2 SOL 4370 37.100 31.530 16.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14688 ATOM 14684 OW SOL 4371 28.600 31.450 11.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14689 ATOM 14685 HW1 SOL 4371 27.800 31.820 11.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14690 ATOM 14686 HW2 SOL 4371 28.610 31.770 12.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14691 ATOM 14687 OW SOL 4372 34.560 34.770 16.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14692 ATOM 14688 HW1 SOL 4372 33.890 35.490 16.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14693 ATOM 14689 HW2 SOL 4372 34.480 34.070 15.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14694 ATOM 14690 OW SOL 4373 29.120 29.350 10.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14695 ATOM 14691 HW1 SOL 4373 28.770 30.220 10.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14696 ATOM 14692 HW2 SOL 4373 29.710 29.530 9.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14697 ATOM 14693 OW SOL 4374 34.290 28.730 12.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14698 ATOM 14694 HW1 SOL 4374 34.850 29.340 13.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14699 ATOM 14695 HW2 SOL 4374 33.380 28.650 12.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14700 ATOM 14696 OW SOL 4375 28.390 18.900 12.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14701 ATOM 14697 HW1 SOL 4375 28.850 18.500 12.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14702 ATOM 14698 HW2 SOL 4375 29.020 19.490 13.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14703 ATOM 14699 OW SOL 4376 29.150 27.840 18.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14704 ATOM 14700 HW1 SOL 4376 28.250 28.260 18.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14705 ATOM 14701 HW2 SOL 4376 29.130 27.320 17.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14706 ATOM 14702 OW SOL 4377 24.850 27.980 2.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14707 ATOM 14703 HW1 SOL 4377 24.920 28.400 3.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14708 ATOM 14704 HW2 SOL 4377 25.630 28.240 2.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14709 ATOM 14705 OW SOL 4378 23.290 26.120 12.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14710 ATOM 14706 HW1 SOL 4378 24.100 26.290 13.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14711 ATOM 14707 HW2 SOL 4378 23.270 25.160 12.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14712 ATOM 14708 OW SOL 4379 30.800 22.190 12.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14713 ATOM 14709 HW1 SOL 4379 30.710 22.970 13.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14714 ATOM 14710 HW2 SOL 4379 29.890 21.900 12.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14715 ATOM 14711 OW SOL 4380 20.160 33.380 12.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14716 ATOM 14712 HW1 SOL 4380 19.950 34.170 11.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14717 ATOM 14713 HW2 SOL 4380 21.120 33.150 12.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14718 ATOM 14714 OW SOL 4381 20.160 28.350 5.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14719 ATOM 14715 HW1 SOL 4381 21.000 27.810 5.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14720 ATOM 14716 HW2 SOL 4381 20.210 28.970 4.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14721 ATOM 14717 OW SOL 4382 24.410 22.260 6.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14722 ATOM 14718 HW1 SOL 4382 24.580 22.530 6.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14723 ATOM 14719 HW2 SOL 4382 24.600 23.030 7.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14724 ATOM 14720 OW SOL 4383 29.850 32.010 1.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14725 ATOM 14721 HW1 SOL 4383 30.800 32.320 1.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14726 ATOM 14722 HW2 SOL 4383 29.470 32.210 2.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14727 ATOM 14723 OW SOL 4384 30.980 31.900 10.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14728 ATOM 14724 HW1 SOL 4384 31.720 31.370 11.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14729 ATOM 14725 HW2 SOL 4384 30.140 31.780 11.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14730 ATOM 14726 OW SOL 4385 33.490 25.900 4.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14731 ATOM 14727 HW1 SOL 4385 32.600 26.340 4.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14732 ATOM 14728 HW2 SOL 4385 34.210 26.600 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14733 ATOM 14729 OW SOL 4386 22.830 32.790 12.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14734 ATOM 14730 HW1 SOL 4386 23.010 32.680 11.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14735 ATOM 14731 HW2 SOL 4386 23.690 32.990 12.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14736 ATOM 14732 OW SOL 4387 23.750 27.990 16.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14737 ATOM 14733 HW1 SOL 4387 24.190 28.660 15.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14738 ATOM 14734 HW2 SOL 4387 24.130 27.080 16.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14739 ATOM 14735 OW SOL 4388 35.210 26.130 16.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14740 ATOM 14736 HW1 SOL 4388 34.220 26.090 16.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14741 ATOM 14737 HW2 SOL 4388 35.410 26.510 15.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14742 ATOM 14738 OW SOL 4389 28.490 18.670 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14743 ATOM 14739 HW1 SOL 4389 29.040 19.490 16.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14744 ATOM 14740 HW2 SOL 4389 29.060 17.970 17.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14745 ATOM 14741 OW SOL 4390 23.720 20.940 16.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14746 ATOM 14742 HW1 SOL 4390 23.610 21.390 17.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14747 ATOM 14743 HW2 SOL 4390 23.120 21.380 16.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14748 ATOM 14744 OW SOL 4391 23.950 26.900 9.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14749 ATOM 14745 HW1 SOL 4391 24.270 27.820 10.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14750 ATOM 14746 HW2 SOL 4391 23.610 26.450 10.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14751 ATOM 14747 OW SOL 4392 31.490 25.710 11.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14752 ATOM 14748 HW1 SOL 4392 30.490 25.630 11.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14753 ATOM 14749 HW2 SOL 4392 31.840 25.630 10.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14754 ATOM 14750 OW SOL 4393 28.820 23.780 1.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14755 ATOM 14751 HW1 SOL 4393 29.760 23.720 1.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14756 ATOM 14752 HW2 SOL 4393 28.190 23.640 2.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14757 ATOM 14753 OW SOL 4394 21.860 20.520 10.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14758 ATOM 14754 HW1 SOL 4394 20.980 20.680 11.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14759 ATOM 14755 HW2 SOL 4394 22.100 19.550 10.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14760 ATOM 14756 OW SOL 4395 18.350 31.890 10.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14761 ATOM 14757 HW1 SOL 4395 18.650 31.090 11.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14762 ATOM 14758 HW2 SOL 4395 18.960 32.660 11.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14763 ATOM 14759 OW SOL 4396 25.020 24.620 8.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14764 ATOM 14760 HW1 SOL 4396 25.810 24.810 7.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14765 ATOM 14761 HW2 SOL 4396 24.930 25.350 9.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14766 ATOM 14762 OW SOL 4397 37.110 27.620 18.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14767 ATOM 14763 HW1 SOL 4397 36.370 27.020 17.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14768 ATOM 14764 HW2 SOL 4397 36.790 28.570 18.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14769 ATOM 14765 OW SOL 4398 21.190 18.940 3.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14770 ATOM 14766 HW1 SOL 4398 21.670 19.250 2.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14771 ATOM 14767 HW2 SOL 4398 21.050 19.720 4.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14772 ATOM 14768 OW SOL 4399 33.870 24.510 1.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14773 ATOM 14769 HW1 SOL 4399 34.800 24.300 1.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14774 ATOM 14770 HW2 SOL 4399 33.900 25.140 2.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14775 ATOM 14771 OW SOL 4400 27.720 23.230 9.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14776 ATOM 14772 HW1 SOL 4400 27.480 23.730 8.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14777 ATOM 14773 HW2 SOL 4400 26.960 22.640 9.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14778 ATOM 14774 OW SOL 4401 30.640 35.140 17.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14779 ATOM 14775 HW1 SOL 4401 30.790 34.340 16.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14780 ATOM 14776 HW2 SOL 4401 29.930 35.720 16.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14781 ATOM 14777 OW SOL 4402 38.560 33.350 16.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14782 ATOM 14778 HW1 SOL 4402 37.730 33.590 16.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14783 ATOM 14779 HW2 SOL 4402 39.230 32.950 16.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14784 ATOM 14780 OW SOL 4403 24.190 29.220 18.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14785 ATOM 14781 HW1 SOL 4403 24.170 30.200 18.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14786 ATOM 14782 HW2 SOL 4403 23.930 28.710 18.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14787 ATOM 14783 OW SOL 4404 31.880 23.950 72.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14788 ATOM 14784 HW1 SOL 4404 31.290 24.750 72.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14789 ATOM 14785 HW2 SOL 4404 32.590 24.160 73.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14790 ATOM 14786 OW SOL 4405 30.930 26.520 72.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14791 ATOM 14787 HW1 SOL 4405 31.670 27.170 72.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14792 ATOM 14788 HW2 SOL 4405 30.520 26.660 71.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14793 ATOM 14789 OW SOL 4406 28.930 31.630 8.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14794 ATOM 14790 HW1 SOL 4406 29.680 31.270 7.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14795 ATOM 14791 HW2 SOL 4406 28.730 32.570 7.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14796 ATOM 14792 OW SOL 4407 20.890 26.720 7.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14797 ATOM 14793 HW1 SOL 4407 19.890 26.780 7.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14798 ATOM 14794 HW2 SOL 4407 21.170 25.810 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14799 ATOM 14795 OW SOL 4408 22.280 24.030 9.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14800 ATOM 14796 HW1 SOL 4408 21.900 23.270 8.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14801 ATOM 14797 HW2 SOL 4408 23.100 24.390 8.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14802 ATOM 14798 OW SOL 4409 29.370 21.250 16.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14803 ATOM 14799 HW1 SOL 4409 28.800 21.970 17.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14804 ATOM 14800 HW2 SOL 4409 30.340 21.490 16.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14805 ATOM 14801 OW SOL 4410 30.360 20.320 14.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14806 ATOM 14802 HW1 SOL 4410 29.910 20.730 15.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14807 ATOM 14803 HW2 SOL 4410 30.490 21.010 13.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14808 ATOM 14804 OW SOL 4411 16.280 31.740 1.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14809 ATOM 14805 HW1 SOL 4411 15.540 31.200 1.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14810 ATOM 14806 HW2 SOL 4411 16.500 31.390 2.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14811 ATOM 14807 OW SOL 4412 18.440 36.110 8.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14812 ATOM 14808 HW1 SOL 4412 17.920 35.570 7.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14813 ATOM 14809 HW2 SOL 4412 19.330 36.350 8.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14814 ATOM 14810 OW SOL 4413 24.080 34.440 8.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14815 ATOM 14811 HW1 SOL 4413 24.830 34.790 8.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14816 ATOM 14812 HW2 SOL 4413 24.420 33.730 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14817 ATOM 14813 OW SOL 4414 28.870 25.590 11.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14818 ATOM 14814 HW1 SOL 4414 28.460 24.850 12.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14819 ATOM 14815 HW2 SOL 4414 28.160 26.040 11.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14820 ATOM 14816 OW SOL 4415 19.300 24.410 11.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14821 ATOM 14817 HW1 SOL 4415 20.090 23.880 11.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14822 ATOM 14818 HW2 SOL 4415 19.130 24.220 10.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14823 ATOM 14819 OW SOL 4416 21.140 28.040 15.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14824 ATOM 14820 HW1 SOL 4416 21.230 27.070 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14825 ATOM 14821 HW2 SOL 4416 22.050 28.420 16.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14826 ATOM 14822 OW SOL 4417 32.550 26.190 16.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14827 ATOM 14823 HW1 SOL 4417 32.480 27.150 16.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14828 ATOM 14824 HW2 SOL 4417 32.500 25.610 15.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14829 ATOM 14825 OW SOL 4418 25.260 21.640 1.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14830 ATOM 14826 HW1 SOL 4418 26.080 21.150 0.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14831 ATOM 14827 HW2 SOL 4418 25.220 22.520 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14832 ATOM 14828 OW SOL 4419 34.660 24.070 10.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14833 ATOM 14829 HW1 SOL 4419 33.940 23.850 11.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14834 ATOM 14830 HW2 SOL 4419 35.460 23.500 10.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14835 ATOM 14831 OW SOL 4420 20.190 33.120 16.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14836 ATOM 14832 HW1 SOL 4420 19.990 33.310 17.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14837 ATOM 14833 HW2 SOL 4420 21.080 32.680 16.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14838 ATOM 14834 OW SOL 4421 26.180 21.080 9.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14839 ATOM 14835 HW1 SOL 4421 25.510 21.070 10.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14840 ATOM 14836 HW2 SOL 4421 25.770 20.680 8.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14841 ATOM 14837 OW SOL 4422 28.750 33.930 13.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14842 ATOM 14838 HW1 SOL 4422 27.920 34.440 13.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14843 ATOM 14839 HW2 SOL 4422 29.360 34.500 12.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14844 ATOM 14840 OW SOL 4423 21.290 25.230 2.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14845 ATOM 14841 HW1 SOL 4423 22.270 25.350 2.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14846 ATOM 14842 HW2 SOL 4423 20.830 25.240 3.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14847 ATOM 14843 OW SOL 4424 19.440 29.840 12.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14848 ATOM 14844 HW1 SOL 4424 19.360 30.100 13.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14849 ATOM 14845 HW2 SOL 4424 20.210 29.210 12.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14850 ATOM 14846 OW SOL 4425 31.230 28.460 12.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14851 ATOM 14847 HW1 SOL 4425 31.300 27.470 12.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14852 ATOM 14848 HW2 SOL 4425 30.470 28.780 11.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14853 ATOM 14849 OW SOL 4426 29.960 27.240 2.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14854 ATOM 14850 HW1 SOL 4426 29.050 27.090 2.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14855 ATOM 14851 HW2 SOL 4426 30.030 26.740 1.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14856 ATOM 14852 OW SOL 4427 35.470 35.040 11.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14857 ATOM 14853 HW1 SOL 4427 35.670 34.730 10.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14858 ATOM 14854 HW2 SOL 4427 36.050 34.550 12.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14859 ATOM 14855 OW SOL 4428 30.610 34.660 11.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14860 ATOM 14856 HW1 SOL 4428 31.430 35.000 11.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14861 ATOM 14857 HW2 SOL 4428 30.710 33.680 11.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14862 ATOM 14858 OW SOL 4429 20.140 31.530 8.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14863 ATOM 14859 HW1 SOL 4429 19.530 31.520 9.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14864 ATOM 14860 HW2 SOL 4429 19.660 31.160 7.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14865 ATOM 14861 OW SOL 4430 28.200 35.820 16.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14866 ATOM 14862 HW1 SOL 4430 28.240 34.950 16.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14867 ATOM 14863 HW2 SOL 4430 27.290 36.230 16.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14868 ATOM 14864 OW SOL 4431 24.280 17.010 0.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14869 ATOM 14865 HW1 SOL 4431 24.450 16.580 -0.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14870 ATOM 14866 HW2 SOL 4431 25.140 17.150 0.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14871 ATOM 14867 OW SOL 4432 37.030 19.550 4.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14872 ATOM 14868 HW1 SOL 4432 37.210 19.750 3.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14873 ATOM 14869 HW2 SOL 4432 36.240 18.950 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14874 ATOM 14870 OW SOL 4433 32.730 32.700 1.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14875 ATOM 14871 HW1 SOL 4433 33.600 32.620 2.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14876 ATOM 14872 HW2 SOL 4433 32.900 32.930 0.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14877 ATOM 14873 OW SOL 4434 17.350 36.060 16.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14878 ATOM 14874 HW1 SOL 4434 16.640 36.740 16.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14879 ATOM 14875 HW2 SOL 4434 17.840 36.320 15.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14880 ATOM 14876 OW SOL 4435 31.010 29.870 6.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14881 ATOM 14877 HW1 SOL 4435 31.890 29.500 6.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14882 ATOM 14878 HW2 SOL 4435 31.090 30.210 5.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14883 ATOM 14879 OW SOL 4436 25.270 29.440 14.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14884 ATOM 14880 HW1 SOL 4436 25.850 30.180 14.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14885 ATOM 14881 HW2 SOL 4436 24.360 29.800 14.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14886 ATOM 14882 OW SOL 4437 25.470 34.820 1.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14887 ATOM 14883 HW1 SOL 4437 24.570 34.410 1.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14888 ATOM 14884 HW2 SOL 4437 26.130 34.090 0.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14889 ATOM 14885 OW SOL 4438 32.940 35.440 12.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14890 ATOM 14886 HW1 SOL 4438 33.830 35.410 12.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14891 ATOM 14887 HW2 SOL 4438 32.780 36.370 13.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14892 ATOM 14888 OW SOL 4439 36.830 19.810 9.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14893 ATOM 14889 HW1 SOL 4439 37.460 19.050 9.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14894 ATOM 14890 HW2 SOL 4439 36.170 19.830 8.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14895 ATOM 14891 OW SOL 4440 20.700 20.960 5.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14896 ATOM 14892 HW1 SOL 4440 20.100 21.560 4.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14897 ATOM 14893 HW2 SOL 4440 20.900 21.370 6.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14898 ATOM 14894 OW SOL 4441 31.630 34.750 72.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14899 ATOM 14895 HW1 SOL 4441 31.270 35.190 73.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14900 ATOM 14896 HW2 SOL 4441 31.110 35.070 71.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14901 ATOM 14897 OW SOL 4442 25.860 27.010 13.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14902 ATOM 14898 HW1 SOL 4442 26.420 27.240 12.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14903 ATOM 14899 HW2 SOL 4442 25.810 27.800 13.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14904 ATOM 14900 OW SOL 4443 27.440 29.280 2.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14905 ATOM 14901 HW1 SOL 4443 27.700 28.950 1.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14906 ATOM 14902 HW2 SOL 4443 27.490 30.280 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14907 ATOM 14903 OW SOL 4444 34.450 34.240 71.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14908 ATOM 14904 HW1 SOL 4444 33.510 34.580 71.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14909 ATOM 14905 HW2 SOL 4444 34.850 34.430 70.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14910 ATOM 14906 OW SOL 4445 22.800 30.500 13.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14911 ATOM 14907 HW1 SOL 4445 22.800 31.360 13.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14912 ATOM 14908 HW2 SOL 4445 22.420 29.770 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14913 ATOM 14909 OW SOL 4446 35.210 30.940 13.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14914 ATOM 14910 HW1 SOL 4446 35.920 30.790 14.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14915 ATOM 14911 HW2 SOL 4446 34.650 31.730 13.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14916 ATOM 14912 OW SOL 4447 26.350 31.370 4.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14917 ATOM 14913 HW1 SOL 4447 25.510 31.620 3.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14918 ATOM 14914 HW2 SOL 4447 26.140 30.680 4.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14919 ATOM 14915 OW SOL 4448 30.450 23.400 9.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14920 ATOM 14916 HW1 SOL 4448 30.780 22.670 9.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14921 ATOM 14917 HW2 SOL 4448 29.450 23.430 9.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14922 ATOM 14918 OW SOL 4449 24.880 34.520 4.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14923 ATOM 14919 HW1 SOL 4449 24.140 34.430 3.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14924 ATOM 14920 HW2 SOL 4449 24.500 34.800 4.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14925 ATOM 14921 OW SOL 4450 36.630 22.570 13.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14926 ATOM 14922 HW1 SOL 4450 37.450 23.020 14.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14927 ATOM 14923 HW2 SOL 4450 36.640 22.610 12.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14928 ATOM 14924 OW SOL 4451 21.220 31.460 3.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14929 ATOM 14925 HW1 SOL 4451 20.620 31.050 3.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14930 ATOM 14926 HW2 SOL 4451 20.670 32.020 4.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14931 ATOM 14927 OW SOL 4452 18.400 28.650 15.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14932 ATOM 14928 HW1 SOL 4452 18.180 28.780 16.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14933 ATOM 14929 HW2 SOL 4452 19.340 28.330 15.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14934 ATOM 14930 OW SOL 4453 26.820 18.140 15.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14935 ATOM 14931 HW1 SOL 4453 27.300 18.490 14.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14936 ATOM 14932 HW2 SOL 4453 27.430 18.180 15.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14937 ATOM 14933 OW SOL 4454 17.960 24.320 72.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14938 ATOM 14934 HW1 SOL 4454 17.180 24.850 71.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14939 ATOM 14935 HW2 SOL 4454 17.770 23.970 73.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14940 ATOM 14936 OW SOL 4455 32.630 25.060 14.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14941 ATOM 14937 HW1 SOL 4455 32.350 25.440 13.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14942 ATOM 14938 HW2 SOL 4455 33.260 24.300 14.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14943 ATOM 14939 OW SOL 4456 18.470 18.950 0.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14944 ATOM 14940 HW1 SOL 4456 18.150 19.770 0.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14945 ATOM 14941 HW2 SOL 4456 18.900 18.330 0.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14946 ATOM 14942 OW SOL 4457 30.220 29.750 72.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14947 ATOM 14943 HW1 SOL 4457 30.130 30.130 71.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14948 ATOM 14944 HW2 SOL 4457 29.990 30.460 73.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14949 ATOM 14945 OW SOL 4458 24.420 23.510 14.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14950 ATOM 14946 HW1 SOL 4458 24.810 24.250 14.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14951 ATOM 14947 HW2 SOL 4458 24.880 23.480 13.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14952 ATOM 14948 OW SOL 4459 35.350 35.770 6.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14953 ATOM 14949 HW1 SOL 4459 35.500 36.300 7.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14954 ATOM 14950 HW2 SOL 4459 36.160 35.810 5.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14955 ATOM 14951 OW SOL 4460 24.930 25.580 16.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14956 ATOM 14952 HW1 SOL 4460 25.740 25.550 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14957 ATOM 14953 HW2 SOL 4460 24.140 25.220 17.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14958 ATOM 14954 OW SOL 4461 33.810 28.550 15.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14959 ATOM 14955 HW1 SOL 4461 33.540 28.320 16.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14960 ATOM 14956 HW2 SOL 4461 33.560 29.500 15.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14961 ATOM 14957 OW SOL 4462 21.280 35.400 14.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14962 ATOM 14958 HW1 SOL 4462 20.710 36.130 14.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14963 ATOM 14959 HW2 SOL 4462 20.730 34.840 13.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14964 ATOM 14960 OW SOL 4463 35.130 26.140 12.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14965 ATOM 14961 HW1 SOL 4463 35.730 25.780 12.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14966 ATOM 14962 HW2 SOL 4463 34.620 26.920 12.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14967 ATOM 14963 OW SOL 4464 31.210 23.760 3.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14968 ATOM 14964 HW1 SOL 4464 32.180 23.560 3.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14969 ATOM 14965 HW2 SOL 4464 30.880 23.340 4.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14970 ATOM 14966 OW SOL 4465 23.630 27.450 7.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14971 ATOM 14967 HW1 SOL 4465 23.890 27.170 7.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14972 ATOM 14968 HW2 SOL 4465 22.980 26.790 6.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14973 ATOM 14969 OW SOL 4466 34.250 22.990 14.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14974 ATOM 14970 HW1 SOL 4466 35.130 23.060 14.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14975 ATOM 14971 HW2 SOL 4466 34.070 22.030 15.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14976 ATOM 14972 OW SOL 4467 36.500 27.610 14.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14977 ATOM 14973 HW1 SOL 4467 35.860 28.140 15.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14978 ATOM 14974 HW2 SOL 4467 36.010 27.190 13.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14979 ATOM 14975 OW SOL 4468 28.560 32.670 71.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14980 ATOM 14976 HW1 SOL 4468 29.040 32.690 72.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14981 ATOM 14977 HW2 SOL 4468 27.580 32.500 71.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14982 ATOM 14978 OW SOL 4469 26.140 35.090 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14983 ATOM 14979 HW1 SOL 4469 25.620 35.900 9.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14984 ATOM 14980 HW2 SOL 4469 27.120 35.320 9.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14985 ATOM 14981 OW SOL 4470 28.400 28.530 6.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14986 ATOM 14982 HW1 SOL 4470 29.290 28.950 6.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14987 ATOM 14983 HW2 SOL 4470 28.280 27.710 6.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14988 ATOM 14984 OW SOL 4471 28.060 28.040 72.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14989 ATOM 14985 HW1 SOL 4471 28.910 28.570 72.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14990 ATOM 14986 HW2 SOL 4471 28.270 27.090 72.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14991 ATOM 14987 OW SOL 4472 36.540 33.440 9.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14992 ATOM 14988 HW1 SOL 4472 35.940 33.400 8.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14993 ATOM 14989 HW2 SOL 4472 36.340 32.680 9.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14994 ATOM 14990 OW SOL 4473 22.060 30.910 16.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14995 ATOM 14991 HW1 SOL 4473 21.980 30.710 15.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14996 ATOM 14992 HW2 SOL 4473 21.220 30.630 16.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14997 ATOM 14993 OW SOL 4474 18.940 30.230 6.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14998 ATOM 14994 HW1 SOL 4474 18.120 29.950 7.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
14999 ATOM 14995 HW2 SOL 4474 19.370 29.430 6.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15000 ATOM 14996 OW SOL 4475 26.470 31.640 15.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15001 ATOM 14997 HW1 SOL 4475 26.610 32.320 14.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15002 ATOM 14998 HW2 SOL 4475 26.840 31.980 15.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15003 ATOM 14999 OW SOL 4476 36.710 22.270 10.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15004 ATOM 15000 HW1 SOL 4476 37.660 22.590 10.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15005 ATOM 15001 HW2 SOL 4476 36.650 21.410 10.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15006 ATOM 15002 OW SOL 4477 23.030 22.620 4.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15007 ATOM 15003 HW1 SOL 4477 23.120 22.620 3.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15008 ATOM 15004 HW2 SOL 4477 22.370 21.930 4.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15009 ATOM 15005 OW SOL 4478 35.490 31.420 10.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15010 ATOM 15006 HW1 SOL 4478 34.910 30.740 10.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15011 ATOM 15007 HW2 SOL 4478 35.580 31.200 11.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15012 ATOM 15008 OW SOL 4479 23.430 23.650 11.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15013 ATOM 15009 HW1 SOL 4479 23.940 22.790 11.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15014 ATOM 15010 HW2 SOL 4479 23.020 23.820 10.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15015 ATOM 15011 OW SOL 4480 27.440 35.160 4.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15016 ATOM 15012 HW1 SOL 4480 27.580 36.070 4.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15017 ATOM 15013 HW2 SOL 4480 26.490 34.880 4.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15018 ATOM 15014 OW SOL 4481 32.180 21.460 10.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15019 ATOM 15015 HW1 SOL 4481 32.290 20.480 9.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15020 ATOM 15016 HW2 SOL 4481 31.990 21.630 11.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15021 ATOM 15017 OW SOL 4482 29.610 18.350 10.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15022 ATOM 15018 HW1 SOL 4482 29.140 18.150 9.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15023 ATOM 15019 HW2 SOL 4482 30.460 17.810 10.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15024 ATOM 15020 OW SOL 4483 22.850 34.000 1.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15025 ATOM 15021 HW1 SOL 4483 22.930 33.330 2.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15026 ATOM 15022 HW2 SOL 4483 22.000 33.850 1.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15027 ATOM 15023 OW SOL 4484 25.400 33.390 13.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15028 ATOM 15024 HW1 SOL 4484 25.590 34.330 13.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15029 ATOM 15025 HW2 SOL 4484 25.990 33.170 12.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15030 ATOM 15026 OW SOL 4485 30.130 17.970 2.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15031 ATOM 15027 HW1 SOL 4485 30.290 18.640 1.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15032 ATOM 15028 HW2 SOL 4485 29.830 17.110 2.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15033 ATOM 15029 OW SOL 4486 31.150 26.910 5.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15034 ATOM 15030 HW1 SOL 4486 30.390 27.190 5.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15035 ATOM 15031 HW2 SOL 4486 30.920 26.050 6.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15036 ATOM 15032 OW SOL 4487 32.600 22.210 7.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15037 ATOM 15033 HW1 SOL 4487 32.250 21.980 8.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15038 ATOM 15034 HW2 SOL 4487 33.130 23.050 7.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15039 ATOM 15035 OW SOL 4488 16.580 28.300 1.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15040 ATOM 15036 HW1 SOL 4488 17.490 28.170 0.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15041 ATOM 15037 HW2 SOL 4488 16.130 29.060 0.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15042 ATOM 15038 OW SOL 4489 26.760 37.190 0.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15043 ATOM 15039 HW1 SOL 4489 26.410 36.260 1.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15044 ATOM 15040 HW2 SOL 4489 27.300 37.410 1.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15045 ATOM 15041 OW SOL 4490 20.360 26.250 18.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15046 ATOM 15042 HW1 SOL 4490 19.680 25.510 18.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15047 ATOM 15043 HW2 SOL 4490 20.530 26.580 17.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15048 ATOM 15044 OW SOL 4491 19.800 23.080 28.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15049 ATOM 15045 HW1 SOL 4491 20.200 22.520 29.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15050 ATOM 15046 HW2 SOL 4491 19.820 24.040 29.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15051 ATOM 15047 OW SOL 4492 18.620 24.090 24.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15052 ATOM 15048 HW1 SOL 4492 17.820 24.690 24.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15053 ATOM 15049 HW2 SOL 4492 18.380 23.320 24.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15054 ATOM 15050 OW SOL 4493 22.440 32.110 32.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15055 ATOM 15051 HW1 SOL 4493 23.310 32.600 31.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15056 ATOM 15052 HW2 SOL 4493 21.710 32.630 31.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15057 ATOM 15053 OW SOL 4494 32.700 32.540 24.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15058 ATOM 15054 HW1 SOL 4494 32.150 32.780 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15059 ATOM 15055 HW2 SOL 4494 32.680 33.300 24.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15060 ATOM 15056 OW SOL 4495 31.550 25.360 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15061 ATOM 15057 HW1 SOL 4495 31.790 25.820 24.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15062 ATOM 15058 HW2 SOL 4495 31.240 26.040 26.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15063 ATOM 15059 OW SOL 4496 35.780 21.780 19.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15064 ATOM 15060 HW1 SOL 4496 35.750 22.310 18.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15065 ATOM 15061 HW2 SOL 4496 35.050 22.090 19.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15066 ATOM 15062 OW SOL 4497 23.390 30.420 29.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15067 ATOM 15063 HW1 SOL 4497 23.140 30.850 30.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15068 ATOM 15064 HW2 SOL 4497 24.280 30.780 29.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15069 ATOM 15065 OW SOL 4498 26.020 30.810 26.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15070 ATOM 15066 HW1 SOL 4498 26.030 30.620 27.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15071 ATOM 15067 HW2 SOL 4498 25.520 31.650 26.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15072 ATOM 15068 OW SOL 4499 21.800 33.770 27.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15073 ATOM 15069 HW1 SOL 4499 21.500 34.070 26.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15074 ATOM 15070 HW2 SOL 4499 22.720 33.380 27.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15075 ATOM 15071 OW SOL 4500 23.430 23.540 35.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15076 ATOM 15072 HW1 SOL 4500 23.050 23.570 36.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15077 ATOM 15073 HW2 SOL 4500 22.850 24.070 34.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15078 ATOM 15074 OW SOL 4501 33.230 22.730 26.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15079 ATOM 15075 HW1 SOL 4501 32.600 22.360 26.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15080 ATOM 15076 HW2 SOL 4501 32.980 23.670 27.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15081 ATOM 15077 OW SOL 4502 20.830 35.810 21.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15082 ATOM 15078 HW1 SOL 4502 20.670 36.570 21.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15083 ATOM 15079 HW2 SOL 4502 20.910 36.160 20.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15084 ATOM 15080 OW SOL 4503 21.400 34.950 24.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15085 ATOM 15081 HW1 SOL 4503 21.480 35.240 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15086 ATOM 15082 HW2 SOL 4503 21.950 35.550 24.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15087 ATOM 15083 OW SOL 4504 21.610 30.140 26.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15088 ATOM 15084 HW1 SOL 4504 21.890 29.420 26.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15089 ATOM 15085 HW2 SOL 4504 20.850 30.650 26.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15090 ATOM 15086 OW SOL 4505 24.080 36.530 31.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15091 ATOM 15087 HW1 SOL 4505 23.610 37.120 32.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15092 ATOM 15088 HW2 SOL 4505 25.060 36.650 31.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15093 ATOM 15089 OW SOL 4506 26.660 26.870 20.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15094 ATOM 15090 HW1 SOL 4506 26.500 27.720 19.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15095 ATOM 15091 HW2 SOL 4506 26.950 27.070 21.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15096 ATOM 15092 OW SOL 4507 35.230 16.200 35.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15097 ATOM 15093 HW1 SOL 4507 34.670 16.150 34.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15098 ATOM 15094 HW2 SOL 4507 36.190 16.140 35.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15099 ATOM 15095 OW SOL 4508 19.800 26.330 23.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15100 ATOM 15096 HW1 SOL 4508 19.460 25.510 24.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15101 ATOM 15097 HW2 SOL 4508 20.150 26.980 24.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15102 ATOM 15098 OW SOL 4509 36.000 38.290 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15103 ATOM 15099 HW1 SOL 4509 35.150 38.760 21.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15104 ATOM 15100 HW2 SOL 4509 36.500 38.070 22.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15105 ATOM 15101 OW SOL 4510 18.660 34.990 18.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15106 ATOM 15102 HW1 SOL 4510 18.130 34.660 19.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15107 ATOM 15103 HW2 SOL 4510 18.040 35.120 18.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15108 ATOM 15104 OW SOL 4511 36.560 27.800 24.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15109 ATOM 15105 HW1 SOL 4511 36.720 27.260 23.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15110 ATOM 15106 HW2 SOL 4511 37.310 28.450 24.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15111 ATOM 15107 OW SOL 4512 35.650 30.880 22.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15112 ATOM 15108 HW1 SOL 4512 36.370 30.180 22.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15113 ATOM 15109 HW2 SOL 4512 35.160 30.830 23.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15114 ATOM 15110 OW SOL 4513 16.330 25.410 34.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15115 ATOM 15111 HW1 SOL 4513 16.480 26.380 34.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15116 ATOM 15112 HW2 SOL 4513 15.670 25.070 34.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15117 ATOM 15113 OW SOL 4514 24.830 33.320 23.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15118 ATOM 15114 HW1 SOL 4514 24.330 32.450 24.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15119 ATOM 15115 HW2 SOL 4514 24.840 33.620 23.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15120 ATOM 15116 OW SOL 4515 25.150 19.820 23.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15121 ATOM 15117 HW1 SOL 4515 25.810 20.580 23.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15122 ATOM 15118 HW2 SOL 4515 24.910 19.650 22.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15123 ATOM 15119 OW SOL 4516 21.320 28.740 30.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15124 ATOM 15120 HW1 SOL 4516 20.940 28.260 29.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15125 ATOM 15121 HW2 SOL 4516 22.150 29.230 30.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15126 ATOM 15122 OW SOL 4517 34.250 28.820 20.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15127 ATOM 15123 HW1 SOL 4517 34.340 27.820 20.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15128 ATOM 15124 HW2 SOL 4517 34.950 29.190 20.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15129 ATOM 15125 OW SOL 4518 19.010 21.900 39.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15130 ATOM 15126 HW1 SOL 4518 18.350 22.160 39.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15131 ATOM 15127 HW2 SOL 4518 19.390 22.720 38.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15132 ATOM 15128 OW SOL 4519 24.060 26.140 20.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15133 ATOM 15129 HW1 SOL 4519 25.030 26.350 20.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15134 ATOM 15130 HW2 SOL 4519 23.630 26.270 20.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15135 ATOM 15131 OW SOL 4520 29.660 20.960 26.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15136 ATOM 15132 HW1 SOL 4520 28.950 20.360 26.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15137 ATOM 15133 HW2 SOL 4520 30.400 20.410 25.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15138 ATOM 15134 OW SOL 4521 34.810 35.480 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15139 ATOM 15135 HW1 SOL 4521 34.910 36.450 20.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15140 ATOM 15136 HW2 SOL 4521 34.590 34.980 20.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15141 ATOM 15137 OW SOL 4522 26.130 22.460 27.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15142 ATOM 15138 HW1 SOL 4522 25.350 23.080 27.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15143 ATOM 15139 HW2 SOL 4522 26.860 22.740 27.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15144 ATOM 15140 OW SOL 4523 29.390 25.480 21.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15145 ATOM 15141 HW1 SOL 4523 28.900 26.040 22.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15146 ATOM 15142 HW2 SOL 4523 29.810 26.080 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15147 ATOM 15143 OW SOL 4524 20.370 27.100 27.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15148 ATOM 15144 HW1 SOL 4524 21.210 27.480 27.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15149 ATOM 15145 HW2 SOL 4524 19.590 27.360 27.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15150 ATOM 15146 OW SOL 4525 20.040 39.290 34.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15151 ATOM 15147 HW1 SOL 4525 19.390 38.570 35.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15152 ATOM 15148 HW2 SOL 4525 19.730 39.720 33.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15153 ATOM 15149 OW SOL 4526 27.380 21.070 19.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15154 ATOM 15150 HW1 SOL 4526 27.890 21.750 19.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15155 ATOM 15151 HW2 SOL 4526 26.960 20.410 19.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15156 ATOM 15152 OW SOL 4527 32.190 30.520 22.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15157 ATOM 15153 HW1 SOL 4527 33.000 30.400 21.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15158 ATOM 15154 HW2 SOL 4527 32.010 31.500 22.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15159 ATOM 15155 OW SOL 4528 23.820 19.810 27.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15160 ATOM 15156 HW1 SOL 4528 23.870 20.750 27.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15161 ATOM 15157 HW2 SOL 4528 22.910 19.640 26.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15162 ATOM 15158 OW SOL 4529 28.550 34.880 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15163 ATOM 15159 HW1 SOL 4529 28.290 35.750 21.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15164 ATOM 15160 HW2 SOL 4529 28.150 34.820 22.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15165 ATOM 15161 OW SOL 4530 23.500 36.110 27.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15166 ATOM 15162 HW1 SOL 4530 23.960 35.270 27.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15167 ATOM 15163 HW2 SOL 4530 23.730 36.840 27.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15168 ATOM 15164 OW SOL 4531 21.730 28.290 20.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15169 ATOM 15165 HW1 SOL 4531 22.560 28.700 19.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15170 ATOM 15166 HW2 SOL 4531 21.340 27.640 19.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15171 ATOM 15167 OW SOL 4532 29.660 37.790 20.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15172 ATOM 15168 HW1 SOL 4532 28.770 37.450 20.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15173 ATOM 15169 HW2 SOL 4532 30.300 37.030 20.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15174 ATOM 15170 OW SOL 4533 18.550 22.210 33.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15175 ATOM 15171 HW1 SOL 4533 17.710 21.720 33.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15176 ATOM 15172 HW2 SOL 4533 19.260 21.560 33.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15177 ATOM 15173 OW SOL 4534 36.320 32.390 20.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15178 ATOM 15174 HW1 SOL 4534 35.550 32.910 19.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15179 ATOM 15175 HW2 SOL 4534 36.050 31.960 20.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15180 ATOM 15176 OW SOL 4535 25.740 37.090 19.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15181 ATOM 15177 HW1 SOL 4535 24.880 37.580 19.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15182 ATOM 15178 HW2 SOL 4535 25.920 37.030 18.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15183 ATOM 15179 OW SOL 4536 32.170 19.090 22.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15184 ATOM 15180 HW1 SOL 4536 31.790 19.260 21.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15185 ATOM 15181 HW2 SOL 4536 32.810 18.320 22.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15186 ATOM 15182 OW SOL 4537 21.070 37.620 29.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15187 ATOM 15183 HW1 SOL 4537 21.310 36.880 30.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15188 ATOM 15184 HW2 SOL 4537 20.860 37.220 28.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15189 ATOM 15185 OW SOL 4538 28.830 33.080 26.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15190 ATOM 15186 HW1 SOL 4538 29.740 33.440 26.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15191 ATOM 15187 HW2 SOL 4538 28.430 33.590 25.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15192 ATOM 15188 OW SOL 4539 22.500 26.620 22.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15193 ATOM 15189 HW1 SOL 4539 22.870 26.030 23.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15194 ATOM 15190 HW2 SOL 4539 21.540 26.840 22.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15195 ATOM 15191 OW SOL 4540 24.510 18.960 20.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15196 ATOM 15192 HW1 SOL 4540 24.890 19.600 19.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15197 ATOM 15193 HW2 SOL 4540 23.550 19.170 20.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15198 ATOM 15194 OW SOL 4541 28.000 20.260 35.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15199 ATOM 15195 HW1 SOL 4541 28.590 19.520 35.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15200 ATOM 15196 HW2 SOL 4541 28.520 21.110 35.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15201 ATOM 15197 OW SOL 4542 28.130 29.120 29.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15202 ATOM 15198 HW1 SOL 4542 28.040 29.870 30.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15203 ATOM 15199 HW2 SOL 4542 28.430 29.490 28.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15204 ATOM 15200 OW SOL 4543 28.090 22.400 29.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15205 ATOM 15201 HW1 SOL 4543 27.790 22.760 30.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15206 ATOM 15202 HW2 SOL 4543 27.330 22.430 29.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15207 ATOM 15203 OW SOL 4544 26.010 31.690 29.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15208 ATOM 15204 HW1 SOL 4544 26.580 31.320 30.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15209 ATOM 15205 HW2 SOL 4544 26.540 32.350 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15210 ATOM 15206 OW SOL 4545 27.880 23.010 25.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15211 ATOM 15207 HW1 SOL 4545 27.470 22.680 25.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15212 ATOM 15208 HW2 SOL 4545 28.600 22.380 26.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15213 ATOM 15209 OW SOL 4546 22.130 20.150 24.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15214 ATOM 15210 HW1 SOL 4546 21.320 20.570 24.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15215 ATOM 15211 HW2 SOL 4546 22.830 20.860 24.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15216 ATOM 15212 OW SOL 4547 32.760 30.250 18.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15217 ATOM 15213 HW1 SOL 4547 33.230 29.700 19.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15218 ATOM 15214 HW2 SOL 4547 32.450 31.110 19.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15219 ATOM 15215 OW SOL 4548 20.110 19.710 19.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15220 ATOM 15216 HW1 SOL 4548 20.490 20.390 18.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15221 ATOM 15217 HW2 SOL 4548 20.510 19.830 20.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15222 ATOM 15218 OW SOL 4549 28.700 20.540 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15223 ATOM 15219 HW1 SOL 4549 28.480 20.780 20.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15224 ATOM 15220 HW2 SOL 4549 29.600 20.900 22.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15225 ATOM 15221 OW SOL 4550 31.360 33.610 27.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15226 ATOM 15222 HW1 SOL 4550 31.190 34.570 27.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15227 ATOM 15223 HW2 SOL 4550 31.420 33.090 27.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15228 ATOM 15224 OW SOL 4551 23.560 30.940 24.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15229 ATOM 15225 HW1 SOL 4551 22.780 30.720 24.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15230 ATOM 15226 HW2 SOL 4551 23.580 30.320 23.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15231 ATOM 15227 OW SOL 4552 28.600 23.160 18.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15232 ATOM 15228 HW1 SOL 4552 28.000 23.890 18.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15233 ATOM 15229 HW2 SOL 4552 29.390 23.560 19.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15234 ATOM 15230 OW SOL 4553 22.970 25.130 31.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15235 ATOM 15231 HW1 SOL 4553 23.560 25.420 30.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15236 ATOM 15232 HW2 SOL 4553 23.300 24.250 31.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15237 ATOM 15233 OW SOL 4554 22.790 20.280 29.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15238 ATOM 15234 HW1 SOL 4554 23.680 20.360 30.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15239 ATOM 15235 HW2 SOL 4554 22.110 20.780 30.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15240 ATOM 15236 OW SOL 4555 26.920 21.900 23.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15241 ATOM 15237 HW1 SOL 4555 26.570 22.690 22.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15242 ATOM 15238 HW2 SOL 4555 27.520 21.360 22.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15243 ATOM 15239 OW SOL 4556 25.940 18.690 25.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15244 ATOM 15240 HW1 SOL 4556 25.760 19.180 24.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15245 ATOM 15241 HW2 SOL 4556 25.160 18.810 26.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15246 ATOM 15242 OW SOL 4557 32.020 29.440 25.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15247 ATOM 15243 HW1 SOL 4557 32.170 30.190 25.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15248 ATOM 15244 HW2 SOL 4557 31.920 29.800 24.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15249 ATOM 15245 OW SOL 4558 31.840 24.890 29.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15250 ATOM 15246 HW1 SOL 4558 31.540 23.950 29.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15251 ATOM 15247 HW2 SOL 4558 31.440 25.520 29.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15252 ATOM 15248 OW SOL 4559 36.660 26.270 22.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15253 ATOM 15249 HW1 SOL 4559 36.800 25.280 22.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15254 ATOM 15250 HW2 SOL 4559 35.920 26.500 21.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15255 ATOM 15251 OW SOL 4560 23.180 33.820 19.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15256 ATOM 15252 HW1 SOL 4560 22.410 33.260 19.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15257 ATOM 15253 HW2 SOL 4560 23.850 33.260 18.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15258 ATOM 15254 OW SOL 4561 34.730 31.070 24.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15259 ATOM 15255 HW1 SOL 4561 34.920 30.600 25.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15260 ATOM 15256 HW2 SOL 4561 33.970 31.710 24.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15261 ATOM 15257 OW SOL 4562 32.630 22.510 19.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15262 ATOM 15258 HW1 SOL 4562 31.640 22.570 19.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15263 ATOM 15259 HW2 SOL 4562 33.110 22.360 20.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15264 ATOM 15260 OW SOL 4563 23.000 22.990 22.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15265 ATOM 15261 HW1 SOL 4563 23.890 23.380 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15266 ATOM 15262 HW2 SOL 4563 22.690 22.360 21.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15267 ATOM 15263 OW SOL 4564 31.520 28.770 29.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15268 ATOM 15264 HW1 SOL 4564 32.470 29.060 29.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15269 ATOM 15265 HW2 SOL 4564 30.910 29.310 29.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15270 ATOM 15266 OW SOL 4565 29.480 19.120 32.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15271 ATOM 15267 HW1 SOL 4565 29.620 18.640 31.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15272 ATOM 15268 HW2 SOL 4565 30.370 19.280 32.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15273 ATOM 15269 OW SOL 4566 27.310 31.160 23.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15274 ATOM 15270 HW1 SOL 4566 27.710 30.420 24.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15275 ATOM 15271 HW2 SOL 4566 26.580 31.600 24.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15276 ATOM 15272 OW SOL 4567 24.430 25.520 28.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15277 ATOM 15273 HW1 SOL 4567 25.420 25.460 29.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15278 ATOM 15274 HW2 SOL 4567 24.220 25.540 27.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15279 ATOM 15275 OW SOL 4568 30.910 22.410 29.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15280 ATOM 15276 HW1 SOL 4568 29.950 22.350 29.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15281 ATOM 15277 HW2 SOL 4568 31.210 21.530 28.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15282 ATOM 15278 OW SOL 4569 19.610 34.760 32.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15283 ATOM 15279 HW1 SOL 4569 18.900 34.730 31.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15284 ATOM 15280 HW2 SOL 4569 20.510 34.800 31.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15285 ATOM 15281 OW SOL 4570 23.480 29.120 22.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15286 ATOM 15282 HW1 SOL 4570 23.530 29.460 21.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15287 ATOM 15283 HW2 SOL 4570 23.160 28.170 22.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15288 ATOM 15284 OW SOL 4571 24.600 25.560 26.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15289 ATOM 15285 HW1 SOL 4571 24.370 26.530 26.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15290 ATOM 15286 HW2 SOL 4571 23.860 25.090 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15291 ATOM 15287 OW SOL 4572 30.980 33.290 22.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15292 ATOM 15288 HW1 SOL 4572 31.730 33.730 22.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15293 ATOM 15289 HW2 SOL 4572 30.150 33.830 22.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15294 ATOM 15290 OW SOL 4573 33.070 24.650 22.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15295 ATOM 15291 HW1 SOL 4573 32.940 25.620 22.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15296 ATOM 15292 HW2 SOL 4573 32.330 24.130 23.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15297 ATOM 15293 OW SOL 4574 21.930 34.920 30.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15298 ATOM 15294 HW1 SOL 4574 22.240 34.930 29.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15299 ATOM 15295 HW2 SOL 4574 22.550 35.480 31.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15300 ATOM 15296 OW SOL 4575 21.680 24.910 33.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15301 ATOM 15297 HW1 SOL 4575 21.910 25.020 32.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15302 ATOM 15298 HW2 SOL 4575 20.690 24.890 33.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15303 ATOM 15299 OW SOL 4576 30.410 18.600 36.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15304 ATOM 15300 HW1 SOL 4576 30.610 17.760 36.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15305 ATOM 15301 HW2 SOL 4576 30.700 19.390 36.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15306 ATOM 15302 OW SOL 4577 25.570 18.930 35.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15307 ATOM 15303 HW1 SOL 4577 26.440 19.320 35.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15308 ATOM 15304 HW2 SOL 4577 24.820 19.530 35.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15309 ATOM 15305 OW SOL 4578 28.140 26.360 28.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15310 ATOM 15306 HW1 SOL 4578 28.390 27.290 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15311 ATOM 15307 HW2 SOL 4578 28.760 26.050 28.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15312 ATOM 15308 OW SOL 4579 30.340 23.230 20.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15313 ATOM 15309 HW1 SOL 4579 30.910 22.750 21.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15314 ATOM 15310 HW2 SOL 4579 29.800 23.930 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15315 ATOM 15311 OW SOL 4580 20.480 21.700 31.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15316 ATOM 15312 HW1 SOL 4580 19.700 22.180 31.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15317 ATOM 15313 HW2 SOL 4580 20.600 20.820 31.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15318 ATOM 15314 OW SOL 4581 19.970 32.370 29.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15319 ATOM 15315 HW1 SOL 4581 19.990 32.060 30.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15320 ATOM 15316 HW2 SOL 4581 20.860 32.740 29.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15321 ATOM 15317 OW SOL 4582 20.200 20.810 26.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15322 ATOM 15318 HW1 SOL 4582 20.760 21.630 26.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15323 ATOM 15319 HW2 SOL 4582 19.290 20.950 26.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15324 ATOM 15320 OW SOL 4583 34.420 22.390 21.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15325 ATOM 15321 HW1 SOL 4583 34.560 21.610 22.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15326 ATOM 15322 HW2 SOL 4583 34.120 23.180 22.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15327 ATOM 15323 OW SOL 4584 27.220 25.550 25.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15328 ATOM 15324 HW1 SOL 4584 27.570 24.640 25.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15329 ATOM 15325 HW2 SOL 4584 26.240 25.490 25.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15330 ATOM 15326 OW SOL 4585 34.640 19.220 20.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15331 ATOM 15327 HW1 SOL 4585 33.690 18.980 19.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15332 ATOM 15328 HW2 SOL 4585 34.930 19.940 19.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15333 ATOM 15329 OW SOL 4586 32.870 25.230 19.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15334 ATOM 15330 HW1 SOL 4586 33.010 24.250 19.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15335 ATOM 15331 HW2 SOL 4586 32.840 25.430 18.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15336 ATOM 15332 OW SOL 4587 28.810 30.530 27.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15337 ATOM 15333 HW1 SOL 4587 28.930 31.400 26.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15338 ATOM 15334 HW2 SOL 4587 28.090 30.000 26.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15339 ATOM 15335 OW SOL 4588 23.020 28.320 27.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15340 ATOM 15336 HW1 SOL 4588 23.200 28.780 28.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15341 ATOM 15337 HW2 SOL 4588 23.800 28.450 27.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15342 ATOM 15338 OW SOL 4589 22.790 22.620 27.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15343 ATOM 15339 HW1 SOL 4589 23.030 21.990 28.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15344 ATOM 15340 HW2 SOL 4589 22.330 23.420 28.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15345 ATOM 15341 OW SOL 4590 32.110 20.110 32.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15346 ATOM 15342 HW1 SOL 4590 32.630 19.410 33.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15347 ATOM 15343 HW2 SOL 4590 32.420 20.180 31.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15348 ATOM 15344 OW SOL 4591 19.700 30.180 18.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15349 ATOM 15345 HW1 SOL 4591 19.040 30.160 17.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15350 ATOM 15346 HW2 SOL 4591 19.300 29.760 19.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15351 ATOM 15347 OW SOL 4592 20.740 36.760 27.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15352 ATOM 15348 HW1 SOL 4592 20.190 36.040 26.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15353 ATOM 15349 HW2 SOL 4592 21.710 36.580 26.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15354 ATOM 15350 OW SOL 4593 24.750 33.520 26.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15355 ATOM 15351 HW1 SOL 4593 25.630 33.860 27.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15356 ATOM 15352 HW2 SOL 4593 24.740 33.560 25.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15357 ATOM 15353 OW SOL 4594 20.350 25.490 30.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15358 ATOM 15354 HW1 SOL 4594 20.450 26.100 29.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15359 ATOM 15355 HW2 SOL 4594 21.190 25.520 30.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15360 ATOM 15356 OW SOL 4595 18.980 24.620 34.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15361 ATOM 15357 HW1 SOL 4595 18.790 23.760 33.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15362 ATOM 15358 HW2 SOL 4595 18.170 25.220 34.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15363 ATOM 15359 OW SOL 4596 26.170 23.660 21.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15364 ATOM 15360 HW1 SOL 4596 25.930 23.030 20.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15365 ATOM 15361 HW2 SOL 4596 26.700 24.430 20.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15366 ATOM 15362 OW SOL 4597 19.440 32.190 36.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15367 ATOM 15363 HW1 SOL 4597 19.330 33.060 37.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15368 ATOM 15364 HW2 SOL 4597 19.040 31.450 37.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15369 ATOM 15365 OW SOL 4598 22.740 24.850 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15370 ATOM 15366 HW1 SOL 4598 23.280 25.320 18.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15371 ATOM 15367 HW2 SOL 4598 21.780 25.120 18.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15372 ATOM 15368 OW SOL 4599 20.130 29.000 32.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15373 ATOM 15369 HW1 SOL 4599 20.750 28.710 33.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15374 ATOM 15370 HW2 SOL 4599 20.570 28.900 31.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15375 ATOM 15371 OW SOL 4600 34.440 26.140 20.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15376 ATOM 15372 HW1 SOL 4600 34.260 25.710 21.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15377 ATOM 15373 HW2 SOL 4600 33.740 25.860 20.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15378 ATOM 15374 OW SOL 4601 19.360 31.500 26.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15379 ATOM 15375 HW1 SOL 4601 19.460 31.680 27.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15380 ATOM 15376 HW2 SOL 4601 18.390 31.370 26.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15381 ATOM 15377 OW SOL 4602 34.810 20.170 23.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15382 ATOM 15378 HW1 SOL 4602 35.610 19.750 23.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15383 ATOM 15379 HW2 SOL 4602 34.320 19.480 24.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15384 ATOM 15380 OW SOL 4603 33.050 34.660 23.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15385 ATOM 15381 HW1 SOL 4603 33.720 34.960 22.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15386 ATOM 15382 HW2 SOL 4603 32.480 35.440 23.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15387 ATOM 15383 OW SOL 4604 18.060 37.770 36.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15388 ATOM 15384 HW1 SOL 4604 18.520 36.910 36.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15389 ATOM 15385 HW2 SOL 4604 18.320 38.080 37.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15390 ATOM 15386 OW SOL 4605 32.160 27.160 23.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15391 ATOM 15387 HW1 SOL 4605 32.140 27.560 24.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15392 ATOM 15388 HW2 SOL 4605 32.040 27.880 22.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15393 ATOM 15389 OW SOL 4606 27.820 31.040 31.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15394 ATOM 15390 HW1 SOL 4606 27.930 31.970 31.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15395 ATOM 15391 HW2 SOL 4606 28.480 30.430 31.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15396 ATOM 15392 OW SOL 4607 27.120 33.390 17.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15397 ATOM 15393 HW1 SOL 4607 27.610 33.310 18.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15398 ATOM 15394 HW2 SOL 4607 26.130 33.400 17.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15399 ATOM 15395 OW SOL 4608 33.950 18.090 28.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15400 ATOM 15396 HW1 SOL 4608 34.880 17.870 27.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15401 ATOM 15397 HW2 SOL 4608 33.290 17.530 27.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15402 ATOM 15398 OW SOL 4609 20.650 23.520 26.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15403 ATOM 15399 HW1 SOL 4609 19.910 23.960 25.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15404 ATOM 15400 HW2 SOL 4609 20.330 23.250 27.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15405 ATOM 15401 OW SOL 4610 31.190 35.790 19.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15406 ATOM 15402 HW1 SOL 4610 31.450 34.960 20.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15407 ATOM 15403 HW2 SOL 4610 30.890 35.570 18.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15408 ATOM 15404 OW SOL 4611 30.000 29.030 21.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15409 ATOM 15405 HW1 SOL 4611 30.340 28.300 20.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15410 ATOM 15406 HW2 SOL 4611 30.740 29.670 21.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15411 ATOM 15407 OW SOL 4612 34.040 33.900 19.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15412 ATOM 15408 HW1 SOL 4612 33.070 33.660 19.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15413 ATOM 15409 HW2 SOL 4612 34.260 34.230 18.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15414 ATOM 15410 OW SOL 4613 23.010 30.240 33.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15415 ATOM 15411 HW1 SOL 4613 22.720 31.060 33.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15416 ATOM 15412 HW2 SOL 4613 22.230 29.610 33.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15417 ATOM 15413 OW SOL 4614 27.950 27.550 22.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15418 ATOM 15414 HW1 SOL 4614 27.560 27.710 23.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15419 ATOM 15415 HW2 SOL 4614 28.700 28.190 22.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15420 ATOM 15416 OW SOL 4615 27.640 19.610 27.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15421 ATOM 15417 HW1 SOL 4615 26.960 19.170 27.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15422 ATOM 15418 HW2 SOL 4615 27.250 20.430 28.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15423 ATOM 15419 OW SOL 4616 24.920 34.140 21.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15424 ATOM 15420 HW1 SOL 4616 24.040 33.980 20.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15425 ATOM 15421 HW2 SOL 4616 25.450 34.790 20.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15426 ATOM 15422 OW SOL 4617 37.680 20.990 32.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15427 ATOM 15423 HW1 SOL 4617 37.280 20.490 33.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15428 ATOM 15424 HW2 SOL 4617 36.960 21.240 31.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15429 ATOM 15425 OW SOL 4618 21.070 32.020 19.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15430 ATOM 15426 HW1 SOL 4618 20.530 31.350 19.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15431 ATOM 15427 HW2 SOL 4618 20.890 31.910 20.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15432 ATOM 15428 OW SOL 4619 21.630 27.800 34.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15433 ATOM 15429 HW1 SOL 4619 21.160 27.630 35.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15434 ATOM 15430 HW2 SOL 4619 21.870 26.930 34.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15435 ATOM 15431 OW SOL 4620 27.310 20.450 32.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15436 ATOM 15432 HW1 SOL 4620 28.160 19.990 32.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15437 ATOM 15433 HW2 SOL 4620 27.170 20.370 33.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15438 ATOM 15434 OW SOL 4621 20.710 21.670 17.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15439 ATOM 15435 HW1 SOL 4621 19.850 22.180 17.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15440 ATOM 15436 HW2 SOL 4621 21.370 22.130 16.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15441 ATOM 15437 OW SOL 4622 17.210 20.310 20.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15442 ATOM 15438 HW1 SOL 4622 17.430 21.210 19.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15443 ATOM 15439 HW2 SOL 4622 17.080 19.660 19.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15444 ATOM 15440 OW SOL 4623 31.480 32.800 19.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15445 ATOM 15441 HW1 SOL 4623 30.770 32.840 18.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15446 ATOM 15442 HW2 SOL 4623 31.070 32.750 20.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15447 ATOM 15443 OW SOL 4624 22.440 38.480 33.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15448 ATOM 15444 HW1 SOL 4624 22.700 39.420 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15449 ATOM 15445 HW2 SOL 4624 21.960 38.450 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15450 ATOM 15446 OW SOL 4625 31.060 21.580 22.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15451 ATOM 15447 HW1 SOL 4625 31.640 20.770 22.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15452 ATOM 15448 HW2 SOL 4625 31.020 21.920 23.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15453 ATOM 15449 OW SOL 4626 24.590 28.660 25.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15454 ATOM 15450 HW1 SOL 4626 25.070 29.530 25.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15455 ATOM 15451 HW2 SOL 4626 24.230 28.430 24.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15456 ATOM 15452 OW SOL 4627 28.240 33.060 19.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15457 ATOM 15453 HW1 SOL 4627 27.790 32.270 20.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15458 ATOM 15454 HW2 SOL 4627 28.210 33.820 20.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15459 ATOM 15455 OW SOL 4628 27.330 33.570 28.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15460 ATOM 15456 HW1 SOL 4628 27.630 34.200 29.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15461 ATOM 15457 HW2 SOL 4628 28.010 33.560 27.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15462 ATOM 15458 OW SOL 4629 27.540 28.200 25.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15463 ATOM 15459 HW1 SOL 4629 27.520 27.200 25.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15464 ATOM 15460 HW2 SOL 4629 26.600 28.550 25.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15465 ATOM 15461 OW SOL 4630 30.960 27.220 19.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15466 ATOM 15462 HW1 SOL 4630 30.310 27.430 19.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15467 ATOM 15463 HW2 SOL 4630 31.740 26.740 19.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15468 ATOM 15464 OW SOL 4631 20.250 28.920 24.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15469 ATOM 15465 HW1 SOL 4631 20.680 29.360 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15470 ATOM 15466 HW2 SOL 4631 20.330 29.530 23.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15471 ATOM 15467 OW SOL 4632 36.500 19.300 34.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15472 ATOM 15468 HW1 SOL 4632 36.090 18.910 34.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15473 ATOM 15469 HW2 SOL 4632 37.240 18.710 33.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15474 ATOM 15470 OW SOL 4633 22.580 24.480 24.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15475 ATOM 15471 HW1 SOL 4633 22.810 23.820 23.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15476 ATOM 15472 HW2 SOL 4633 21.830 24.120 25.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15477 ATOM 15473 OW SOL 4634 24.250 22.800 32.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15478 ATOM 15474 HW1 SOL 4634 23.900 22.770 33.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15479 ATOM 15475 HW2 SOL 4634 24.190 21.890 32.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15480 ATOM 15476 OW SOL 4635 27.440 34.340 24.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15481 ATOM 15477 HW1 SOL 4635 27.390 35.190 24.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15482 ATOM 15478 HW2 SOL 4635 26.520 34.030 24.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15483 ATOM 15479 OW SOL 4636 31.250 19.600 28.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15484 ATOM 15480 HW1 SOL 4636 31.780 19.010 28.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15485 ATOM 15481 HW2 SOL 4636 30.370 19.170 29.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15486 ATOM 15482 OW SOL 4637 29.190 18.210 29.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15487 ATOM 15483 HW1 SOL 4637 28.810 18.800 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15488 ATOM 15484 HW2 SOL 4637 28.560 17.460 29.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15489 ATOM 15485 OW SOL 4638 27.450 30.730 21.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15490 ATOM 15486 HW1 SOL 4638 27.050 30.900 21.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15491 ATOM 15487 HW2 SOL 4638 28.410 30.450 21.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15492 ATOM 15488 OW SOL 4639 24.740 33.920 31.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15493 ATOM 15489 HW1 SOL 4639 24.530 34.880 31.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15494 ATOM 15490 HW2 SOL 4639 25.730 33.790 31.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15495 ATOM 15491 OW SOL 4640 32.070 18.820 19.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15496 ATOM 15492 HW1 SOL 4640 32.110 18.380 18.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15497 ATOM 15493 HW2 SOL 4640 31.440 18.310 19.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15498 ATOM 15494 OW SOL 4641 31.160 22.780 25.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15499 ATOM 15495 HW1 SOL 4641 31.240 23.730 25.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15500 ATOM 15496 HW2 SOL 4641 30.410 22.340 25.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15501 ATOM 15497 OW SOL 4642 33.310 20.790 30.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15502 ATOM 15498 HW1 SOL 4642 33.920 20.030 30.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15503 ATOM 15499 HW2 SOL 4642 32.540 20.470 29.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15504 ATOM 15500 OW SOL 4643 19.210 28.960 20.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15505 ATOM 15501 HW1 SOL 4643 20.180 28.750 20.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15506 ATOM 15502 HW2 SOL 4643 18.710 28.120 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15507 ATOM 15503 OW SOL 4644 27.270 37.090 21.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15508 ATOM 15504 HW1 SOL 4644 26.490 37.250 20.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15509 ATOM 15505 HW2 SOL 4644 27.000 37.270 22.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15510 ATOM 15506 OW SOL 4645 19.640 23.960 37.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15511 ATOM 15507 HW1 SOL 4645 18.790 23.430 37.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15512 ATOM 15508 HW2 SOL 4645 19.800 24.330 36.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15513 ATOM 15509 OW SOL 4646 20.480 21.620 45.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15514 ATOM 15510 HW1 SOL 4646 20.940 21.590 46.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15515 ATOM 15511 HW2 SOL 4646 19.520 21.340 46.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15516 ATOM 15512 OW SOL 4647 17.980 23.570 44.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15517 ATOM 15513 HW1 SOL 4647 17.060 23.950 44.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15518 ATOM 15514 HW2 SOL 4647 18.010 22.680 43.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15519 ATOM 15515 OW SOL 4648 26.850 27.900 54.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15520 ATOM 15516 HW1 SOL 4648 27.410 27.750 55.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15521 ATOM 15517 HW2 SOL 4648 27.420 27.810 53.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15522 ATOM 15518 OW SOL 4649 27.100 31.700 54.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15523 ATOM 15519 HW1 SOL 4649 27.460 31.340 55.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15524 ATOM 15520 HW2 SOL 4649 26.120 31.830 54.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15525 ATOM 15521 OW SOL 4650 21.270 30.280 47.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15526 ATOM 15522 HW1 SOL 4650 20.410 30.620 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15527 ATOM 15523 HW2 SOL 4650 21.100 29.950 46.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15528 ATOM 15524 OW SOL 4651 34.020 31.020 55.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15529 ATOM 15525 HW1 SOL 4651 33.550 30.170 55.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15530 ATOM 15526 HW2 SOL 4651 34.600 30.880 54.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15531 ATOM 15527 OW SOL 4652 21.310 23.100 51.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15532 ATOM 15528 HW1 SOL 4652 20.740 22.290 51.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15533 ATOM 15529 HW2 SOL 4652 21.620 23.100 52.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15534 ATOM 15530 OW SOL 4653 30.780 32.720 53.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15535 ATOM 15531 HW1 SOL 4653 31.360 33.290 53.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15536 ATOM 15532 HW2 SOL 4653 30.170 32.170 53.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15537 ATOM 15533 OW SOL 4654 23.560 27.860 48.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15538 ATOM 15534 HW1 SOL 4654 22.710 27.630 48.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15539 ATOM 15535 HW2 SOL 4654 24.270 28.080 48.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15540 ATOM 15536 OW SOL 4655 22.700 37.380 51.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15541 ATOM 15537 HW1 SOL 4655 21.760 37.570 52.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15542 ATOM 15538 HW2 SOL 4655 23.270 37.260 52.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15543 ATOM 15539 OW SOL 4656 32.510 20.360 51.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15544 ATOM 15540 HW1 SOL 4656 31.660 20.880 51.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15545 ATOM 15541 HW2 SOL 4656 33.280 20.980 51.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15546 ATOM 15542 OW SOL 4657 20.160 25.540 43.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15547 ATOM 15543 HW1 SOL 4657 19.350 24.950 43.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15548 ATOM 15544 HW2 SOL 4657 20.100 26.080 44.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15549 ATOM 15545 OW SOL 4658 17.240 34.660 37.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15550 ATOM 15546 HW1 SOL 4658 16.720 34.670 36.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15551 ATOM 15547 HW2 SOL 4658 16.750 34.120 38.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15552 ATOM 15548 OW SOL 4659 19.080 26.540 52.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15553 ATOM 15549 HW1 SOL 4659 19.090 27.230 51.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15554 ATOM 15550 HW2 SOL 4659 18.830 26.980 53.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15555 ATOM 15551 OW SOL 4660 33.450 32.550 50.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15556 ATOM 15552 HW1 SOL 4660 32.460 32.650 50.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15557 ATOM 15553 HW2 SOL 4660 33.820 32.970 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15558 ATOM 15554 OW SOL 4661 25.780 19.050 41.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15559 ATOM 15555 HW1 SOL 4661 25.370 19.430 40.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15560 ATOM 15556 HW2 SOL 4661 25.070 18.960 41.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15561 ATOM 15557 OW SOL 4662 18.640 28.930 50.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15562 ATOM 15558 HW1 SOL 4662 19.290 28.780 49.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15563 ATOM 15559 HW2 SOL 4662 18.020 29.680 50.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15564 ATOM 15560 OW SOL 4663 28.870 35.940 50.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15565 ATOM 15561 HW1 SOL 4663 28.160 36.470 49.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15566 ATOM 15562 HW2 SOL 4663 29.510 36.570 50.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15567 ATOM 15563 OW SOL 4664 21.940 22.640 54.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15568 ATOM 15564 HW1 SOL 4664 22.300 22.930 55.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15569 ATOM 15565 HW2 SOL 4664 21.010 22.300 54.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15570 ATOM 15566 OW SOL 4665 35.240 36.330 42.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15571 ATOM 15567 HW1 SOL 4665 36.150 36.040 42.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15572 ATOM 15568 HW2 SOL 4665 35.060 35.960 41.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15573 ATOM 15569 OW SOL 4666 35.020 35.420 39.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15574 ATOM 15570 HW1 SOL 4666 34.500 36.260 39.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15575 ATOM 15571 HW2 SOL 4666 34.950 34.850 38.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15576 ATOM 15572 OW SOL 4667 25.470 23.700 50.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15577 ATOM 15573 HW1 SOL 4667 25.580 23.070 51.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15578 ATOM 15574 HW2 SOL 4667 25.650 23.210 50.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15579 ATOM 15575 OW SOL 4668 31.170 24.640 54.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15580 ATOM 15576 HW1 SOL 4668 31.700 25.210 54.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15581 ATOM 15577 HW2 SOL 4668 31.240 23.680 54.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15582 ATOM 15578 OW SOL 4669 28.570 27.770 52.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15583 ATOM 15579 HW1 SOL 4669 29.420 27.640 52.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15584 ATOM 15580 HW2 SOL 4669 27.980 26.980 52.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15585 ATOM 15581 OW SOL 4670 28.310 21.020 49.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15586 ATOM 15582 HW1 SOL 4670 27.420 21.470 49.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15587 ATOM 15583 HW2 SOL 4670 28.350 20.280 49.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15588 ATOM 15584 OW SOL 4671 19.430 26.590 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15589 ATOM 15585 HW1 SOL 4671 19.860 26.720 47.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15590 ATOM 15586 HW2 SOL 4671 18.520 27.000 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15591 ATOM 15587 OW SOL 4672 17.990 38.340 55.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15592 ATOM 15588 HW1 SOL 4672 17.890 37.400 55.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15593 ATOM 15589 HW2 SOL 4672 18.010 38.960 54.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15594 ATOM 15590 OW SOL 4673 26.780 22.100 39.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15595 ATOM 15591 HW1 SOL 4673 27.450 22.750 38.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15596 ATOM 15592 HW2 SOL 4673 26.150 22.580 39.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15597 ATOM 15593 OW SOL 4674 35.300 23.870 54.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15598 ATOM 15594 HW1 SOL 4674 36.240 23.640 54.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15599 ATOM 15595 HW2 SOL 4674 34.780 23.020 54.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15600 ATOM 15596 OW SOL 4675 23.210 20.060 45.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15601 ATOM 15597 HW1 SOL 4675 23.280 20.150 46.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15602 ATOM 15598 HW2 SOL 4675 23.640 20.840 45.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15603 ATOM 15599 OW SOL 4676 21.620 35.300 47.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15604 ATOM 15600 HW1 SOL 4676 22.310 34.600 46.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15605 ATOM 15601 HW2 SOL 4676 21.980 36.190 46.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15606 ATOM 15602 OW SOL 4677 33.320 35.340 52.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15607 ATOM 15603 HW1 SOL 4677 32.850 34.590 52.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15608 ATOM 15604 HW2 SOL 4677 34.280 35.360 52.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15609 ATOM 15605 OW SOL 4678 24.250 31.820 54.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15610 ATOM 15606 HW1 SOL 4678 24.410 30.870 55.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15611 ATOM 15607 HW2 SOL 4678 23.340 32.110 55.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15612 ATOM 15608 OW SOL 4679 19.510 21.010 51.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15613 ATOM 15609 HW1 SOL 4679 18.830 21.130 50.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15614 ATOM 15610 HW2 SOL 4679 19.250 20.250 51.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15615 ATOM 15611 OW SOL 4680 20.350 36.040 49.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15616 ATOM 15612 HW1 SOL 4680 20.530 37.020 49.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15617 ATOM 15613 HW2 SOL 4680 20.750 35.680 48.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15618 ATOM 15614 OW SOL 4681 21.290 26.740 41.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15619 ATOM 15615 HW1 SOL 4681 22.240 26.560 41.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15620 ATOM 15616 HW2 SOL 4681 20.670 26.500 42.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15621 ATOM 15617 OW SOL 4682 33.680 21.320 54.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15622 ATOM 15618 HW1 SOL 4682 33.560 21.290 55.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15623 ATOM 15619 HW2 SOL 4682 33.190 20.560 53.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15624 ATOM 15620 OW SOL 4683 25.240 20.140 38.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15625 ATOM 15621 HW1 SOL 4683 25.790 20.960 38.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15626 ATOM 15622 HW2 SOL 4683 25.330 19.860 37.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15627 ATOM 15623 OW SOL 4684 26.270 22.330 53.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15628 ATOM 15624 HW1 SOL 4684 27.090 22.200 53.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15629 ATOM 15625 HW2 SOL 4684 25.910 21.440 52.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15630 ATOM 15626 OW SOL 4685 28.150 33.140 49.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15631 ATOM 15627 HW1 SOL 4685 28.290 34.130 49.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15632 ATOM 15628 HW2 SOL 4685 28.920 32.740 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15633 ATOM 15629 OW SOL 4686 29.770 24.600 52.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15634 ATOM 15630 HW1 SOL 4686 30.230 24.640 53.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15635 ATOM 15631 HW2 SOL 4686 30.070 25.370 51.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15636 ATOM 15632 OW SOL 4687 23.380 19.120 42.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15637 ATOM 15633 HW1 SOL 4687 23.370 18.940 43.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15638 ATOM 15634 HW2 SOL 4687 23.240 20.090 42.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15639 ATOM 15635 OW SOL 4688 21.290 20.520 38.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15640 ATOM 15636 HW1 SOL 4688 20.520 20.960 38.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15641 ATOM 15637 HW2 SOL 4688 21.280 20.780 37.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15642 ATOM 15638 OW SOL 4689 27.130 25.520 51.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15643 ATOM 15639 HW1 SOL 4689 26.380 25.100 51.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15644 ATOM 15640 HW2 SOL 4689 27.820 24.830 52.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15645 ATOM 15641 OW SOL 4690 22.410 31.660 44.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15646 ATOM 15642 HW1 SOL 4690 22.420 30.700 44.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15647 ATOM 15643 HW2 SOL 4690 21.660 32.130 44.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15648 ATOM 15644 OW SOL 4691 18.560 24.600 50.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15649 ATOM 15645 HW1 SOL 4691 19.340 24.170 50.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15650 ATOM 15646 HW2 SOL 4691 18.880 25.160 51.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15651 ATOM 15647 OW SOL 4692 23.580 19.830 48.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15652 ATOM 15648 HW1 SOL 4692 23.630 18.930 49.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15653 ATOM 15649 HW2 SOL 4692 22.720 20.280 49.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15654 ATOM 15650 OW SOL 4693 29.290 18.380 43.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15655 ATOM 15651 HW1 SOL 4693 29.560 18.100 42.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15656 ATOM 15652 HW2 SOL 4693 28.340 18.130 43.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15657 ATOM 15653 OW SOL 4694 21.830 32.970 39.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15658 ATOM 15654 HW1 SOL 4694 20.930 33.410 39.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15659 ATOM 15655 HW2 SOL 4694 21.720 31.990 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15660 ATOM 15656 OW SOL 4695 22.890 22.530 39.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15661 ATOM 15657 HW1 SOL 4695 23.140 21.660 39.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15662 ATOM 15658 HW2 SOL 4695 22.680 23.210 39.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15663 ATOM 15659 OW SOL 4696 35.410 30.230 53.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15664 ATOM 15660 HW1 SOL 4696 35.570 29.250 53.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15665 ATOM 15661 HW2 SOL 4696 36.050 30.670 53.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15666 ATOM 15662 OW SOL 4697 30.650 31.540 50.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15667 ATOM 15663 HW1 SOL 4697 30.430 31.920 51.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15668 ATOM 15664 HW2 SOL 4697 30.970 30.600 50.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15669 ATOM 15665 OW SOL 4698 33.500 36.140 55.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15670 ATOM 15666 HW1 SOL 4698 33.490 36.310 54.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15671 ATOM 15667 HW2 SOL 4698 33.450 37.010 56.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15672 ATOM 15668 OW SOL 4699 26.830 18.390 51.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15673 ATOM 15669 HW1 SOL 4699 27.230 18.680 50.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15674 ATOM 15670 HW2 SOL 4699 27.390 18.730 52.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15675 ATOM 15671 OW SOL 4700 29.220 30.270 53.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15676 ATOM 15672 HW1 SOL 4700 28.460 30.900 53.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15677 ATOM 15673 HW2 SOL 4700 28.920 29.340 53.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15678 ATOM 15674 OW SOL 4701 21.790 26.500 49.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15679 ATOM 15675 HW1 SOL 4701 22.290 26.280 50.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15680 ATOM 15676 HW2 SOL 4701 21.680 25.670 49.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15681 ATOM 15677 OW SOL 4702 30.470 22.150 51.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15682 ATOM 15678 HW1 SOL 4702 30.200 23.030 51.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15683 ATOM 15679 HW2 SOL 4702 29.680 21.730 50.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15684 ATOM 15680 OW SOL 4703 19.730 34.970 51.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15685 ATOM 15681 HW1 SOL 4703 19.950 35.280 51.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15686 ATOM 15682 HW2 SOL 4703 20.530 35.070 52.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15687 ATOM 15683 OW SOL 4704 19.990 29.230 41.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15688 ATOM 15684 HW1 SOL 4704 19.470 29.990 41.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15689 ATOM 15685 HW2 SOL 4704 20.030 28.480 41.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15690 ATOM 15686 OW SOL 4705 24.500 22.260 44.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15691 ATOM 15687 HW1 SOL 4705 24.220 21.830 44.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15692 ATOM 15688 HW2 SOL 4705 25.350 22.770 44.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15693 ATOM 15689 OW SOL 4706 24.250 35.250 50.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15694 ATOM 15690 HW1 SOL 4706 23.400 34.880 49.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15695 ATOM 15691 HW2 SOL 4706 24.050 36.040 50.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15696 ATOM 15692 OW SOL 4707 23.270 25.040 54.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15697 ATOM 15693 HW1 SOL 4707 23.400 25.240 53.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15698 ATOM 15694 HW2 SOL 4707 22.640 24.270 54.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15699 ATOM 15695 OW SOL 4708 36.310 27.140 53.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15700 ATOM 15696 HW1 SOL 4708 36.290 26.140 53.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15701 ATOM 15697 HW2 SOL 4708 36.910 27.490 53.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15702 ATOM 15698 OW SOL 4709 28.270 17.910 55.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15703 ATOM 15699 HW1 SOL 4709 28.220 17.390 56.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15704 ATOM 15700 HW2 SOL 4709 29.190 17.840 55.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15705 ATOM 15701 OW SOL 4710 23.580 19.820 54.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15706 ATOM 15702 HW1 SOL 4710 23.020 19.010 54.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15707 ATOM 15703 HW2 SOL 4710 22.980 20.590 55.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15708 ATOM 15704 OW SOL 4711 24.910 25.400 48.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15709 ATOM 15705 HW1 SOL 4711 24.270 26.130 48.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15710 ATOM 15706 HW2 SOL 4711 24.600 24.960 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15711 ATOM 15707 OW SOL 4712 21.010 20.730 48.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15712 ATOM 15708 HW1 SOL 4712 20.590 21.040 49.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15713 ATOM 15709 HW2 SOL 4712 20.390 20.090 48.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15714 ATOM 15710 OW SOL 4713 19.000 32.370 51.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15715 ATOM 15711 HW1 SOL 4713 19.960 32.090 51.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15716 ATOM 15712 HW2 SOL 4713 18.940 33.350 51.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15717 ATOM 15713 OW SOL 4714 35.390 28.220 56.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15718 ATOM 15714 HW1 SOL 4714 34.770 27.540 56.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15719 ATOM 15715 HW2 SOL 4714 35.420 28.120 57.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15720 ATOM 15716 OW SOL 4715 20.370 20.540 42.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15721 ATOM 15717 HW1 SOL 4715 20.710 21.430 43.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15722 ATOM 15718 HW2 SOL 4715 20.340 19.910 43.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15723 ATOM 15719 OW SOL 4716 28.060 34.350 55.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15724 ATOM 15720 HW1 SOL 4716 27.680 34.780 54.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15725 ATOM 15721 HW2 SOL 4716 27.880 33.360 55.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15726 ATOM 15722 OW SOL 4717 24.440 29.350 55.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15727 ATOM 15723 HW1 SOL 4717 24.630 29.340 56.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15728 ATOM 15724 HW2 SOL 4717 25.160 28.850 55.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15729 ATOM 15725 OW SOL 4718 20.040 28.120 48.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15730 ATOM 15726 HW1 SOL 4718 20.580 28.810 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15731 ATOM 15727 HW2 SOL 4718 20.650 27.560 48.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15732 ATOM 15728 OW SOL 4719 22.940 22.980 47.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15733 ATOM 15729 HW1 SOL 4719 23.130 22.340 46.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15734 ATOM 15730 HW2 SOL 4719 23.610 23.720 47.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15735 ATOM 15731 OW SOL 4720 28.680 22.140 54.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15736 ATOM 15732 HW1 SOL 4720 29.630 22.110 54.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15737 ATOM 15733 HW2 SOL 4720 28.230 22.950 55.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15738 ATOM 15734 OW SOL 4721 27.730 19.560 53.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15739 ATOM 15735 HW1 SOL 4721 27.780 18.790 54.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15740 ATOM 15736 HW2 SOL 4721 28.130 20.370 54.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15741 ATOM 15737 OW SOL 4722 18.370 31.160 41.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15742 ATOM 15738 HW1 SOL 4722 18.000 32.030 41.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15743 ATOM 15739 HW2 SOL 4722 17.770 30.800 40.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15744 ATOM 15740 OW SOL 4723 19.740 36.440 45.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15745 ATOM 15741 HW1 SOL 4723 19.070 35.820 45.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15746 ATOM 15742 HW2 SOL 4723 20.350 35.910 46.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15747 ATOM 15743 OW SOL 4724 23.460 33.440 46.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15748 ATOM 15744 HW1 SOL 4724 24.410 33.630 45.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15749 ATOM 15745 HW2 SOL 4724 23.080 32.780 45.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15750 ATOM 15746 OW SOL 4725 27.370 26.600 49.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15751 ATOM 15747 HW1 SOL 4725 27.670 26.320 50.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15752 ATOM 15748 HW2 SOL 4725 27.000 25.810 48.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15753 ATOM 15749 OW SOL 4726 18.350 23.990 47.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15754 ATOM 15750 HW1 SOL 4726 18.340 24.080 46.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15755 ATOM 15751 HW2 SOL 4726 19.280 24.110 47.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15756 ATOM 15752 OW SOL 4727 21.130 26.930 54.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15757 ATOM 15753 HW1 SOL 4727 21.780 26.260 54.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15758 ATOM 15754 HW2 SOL 4727 20.230 26.500 55.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15759 ATOM 15755 OW SOL 4728 32.610 26.980 52.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15760 ATOM 15756 HW1 SOL 4728 32.080 26.870 52.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15761 ATOM 15757 HW2 SOL 4728 32.390 27.870 53.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15762 ATOM 15758 OW SOL 4729 25.260 23.670 40.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15763 ATOM 15759 HW1 SOL 4729 24.270 23.520 40.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15764 ATOM 15760 HW2 SOL 4729 25.410 24.480 41.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15765 ATOM 15761 OW SOL 4730 32.060 24.750 48.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15766 ATOM 15762 HW1 SOL 4730 32.020 23.750 48.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15767 ATOM 15763 HW2 SOL 4730 33.000 25.060 48.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15768 ATOM 15764 OW SOL 4731 21.550 34.840 53.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15769 ATOM 15765 HW1 SOL 4731 21.140 35.660 54.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15770 ATOM 15766 HW2 SOL 4731 21.180 34.030 54.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15771 ATOM 15767 OW SOL 4732 25.520 21.740 48.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15772 ATOM 15768 HW1 SOL 4732 25.000 20.890 48.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15773 ATOM 15769 HW2 SOL 4732 26.160 21.770 48.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15774 ATOM 15770 OW SOL 4733 27.200 35.850 52.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15775 ATOM 15771 HW1 SOL 4733 26.260 35.910 53.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15776 ATOM 15772 HW2 SOL 4733 27.410 36.660 52.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15777 ATOM 15773 OW SOL 4734 22.350 24.080 37.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15778 ATOM 15774 HW1 SOL 4734 22.600 25.030 37.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15779 ATOM 15775 HW2 SOL 4734 21.430 24.050 37.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15780 ATOM 15776 OW SOL 4735 21.050 30.100 51.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15781 ATOM 15777 HW1 SOL 4735 21.280 29.770 52.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15782 ATOM 15778 HW2 SOL 4735 20.170 29.730 51.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15783 ATOM 15779 OW SOL 4736 29.770 28.110 48.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15784 ATOM 15780 HW1 SOL 4736 30.160 27.640 47.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15785 ATOM 15781 HW2 SOL 4736 28.780 28.190 48.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15786 ATOM 15782 OW SOL 4737 18.540 30.450 46.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15787 ATOM 15783 HW1 SOL 4737 17.870 29.790 47.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15788 ATOM 15784 HW2 SOL 4737 19.080 30.030 46.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15789 ATOM 15785 OW SOL 4738 24.280 34.800 54.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15790 ATOM 15786 HW1 SOL 4738 24.380 33.890 54.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15791 ATOM 15787 HW2 SOL 4738 23.310 34.990 54.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15792 ATOM 15788 OW SOL 4739 20.980 37.100 55.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15793 ATOM 15789 HW1 SOL 4739 21.120 36.650 56.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15794 ATOM 15790 HW2 SOL 4739 20.310 37.830 55.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15795 ATOM 15791 OW SOL 4740 26.260 30.860 50.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15796 ATOM 15792 HW1 SOL 4740 25.510 31.130 51.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15797 ATOM 15793 HW2 SOL 4740 26.850 31.650 50.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15798 ATOM 15794 OW SOL 4741 21.190 23.100 43.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15799 ATOM 15795 HW1 SOL 4741 20.930 24.060 43.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15800 ATOM 15796 HW2 SOL 4741 21.010 22.740 44.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15801 ATOM 15797 OW SOL 4742 25.630 28.270 50.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15802 ATOM 15798 HW1 SOL 4742 26.400 27.820 49.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15803 ATOM 15799 HW2 SOL 4742 25.910 29.190 50.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15804 ATOM 15800 OW SOL 4743 33.800 34.300 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15805 ATOM 15801 HW1 SOL 4743 33.000 34.820 36.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15806 ATOM 15802 HW2 SOL 4743 33.780 33.390 36.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15807 ATOM 15803 OW SOL 4744 22.800 31.650 50.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15808 ATOM 15804 HW1 SOL 4744 23.520 31.820 51.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15809 ATOM 15805 HW2 SOL 4744 22.070 31.110 50.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15810 ATOM 15806 OW SOL 4745 34.660 22.110 51.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15811 ATOM 15807 HW1 SOL 4745 34.220 22.950 51.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15812 ATOM 15808 HW2 SOL 4745 34.810 22.170 50.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15813 ATOM 15809 OW SOL 4746 21.770 29.360 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15814 ATOM 15810 HW1 SOL 4746 21.380 28.460 54.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15815 ATOM 15811 HW2 SOL 4746 22.720 29.390 54.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15816 ATOM 15812 OW SOL 4747 24.350 19.370 52.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15817 ATOM 15813 HW1 SOL 4747 25.330 19.150 52.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15818 ATOM 15814 HW2 SOL 4747 24.150 19.790 52.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15819 ATOM 15815 OW SOL 4748 17.300 22.520 36.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15820 ATOM 15816 HW1 SOL 4748 16.830 22.250 35.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15821 ATOM 15817 HW2 SOL 4748 16.740 22.290 37.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15822 ATOM 15818 OW SOL 4749 30.880 26.470 50.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15823 ATOM 15819 HW1 SOL 4749 30.390 27.200 49.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15824 ATOM 15820 HW2 SOL 4749 31.270 25.840 49.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15825 ATOM 15821 OW SOL 4750 18.010 19.580 38.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15826 ATOM 15822 HW1 SOL 4750 17.090 19.520 38.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15827 ATOM 15823 HW2 SOL 4750 18.340 20.520 38.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15828 ATOM 15824 OW SOL 4751 23.800 25.910 51.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15829 ATOM 15825 HW1 SOL 4751 24.350 26.740 51.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15830 ATOM 15826 HW2 SOL 4751 24.400 25.130 51.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15831 ATOM 15827 OW SOL 4752 25.270 25.570 55.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15832 ATOM 15828 HW1 SOL 4752 25.740 26.360 55.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15833 ATOM 15829 HW2 SOL 4752 24.520 25.300 55.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15834 ATOM 15830 OW SOL 4753 33.160 29.760 51.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15835 ATOM 15831 HW1 SOL 4753 33.360 29.880 52.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15836 ATOM 15832 HW2 SOL 4753 33.340 30.610 50.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15837 ATOM 15833 OW SOL 4754 20.140 38.120 52.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15838 ATOM 15834 HW1 SOL 4754 19.840 38.220 51.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15839 ATOM 15835 HW2 SOL 4754 19.770 38.870 52.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15840 ATOM 15836 OW SOL 4755 36.720 20.390 52.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15841 ATOM 15837 HW1 SOL 4755 35.850 20.880 52.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15842 ATOM 15838 HW2 SOL 4755 36.680 19.530 51.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15843 ATOM 15839 OW SOL 4756 36.640 28.260 50.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15844 ATOM 15840 HW1 SOL 4756 36.900 29.160 51.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15845 ATOM 15841 HW2 SOL 4756 36.440 27.650 51.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15846 ATOM 15842 OW SOL 4757 21.610 32.340 55.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15847 ATOM 15843 HW1 SOL 4757 21.470 31.470 54.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15848 ATOM 15844 HW2 SOL 4757 20.770 32.600 55.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15849 ATOM 15845 OW SOL 4758 20.140 29.030 45.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15850 ATOM 15846 HW1 SOL 4758 19.910 28.070 45.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15851 ATOM 15847 HW2 SOL 4758 20.020 29.280 44.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15852 ATOM 15848 OW SOL 4759 24.690 32.230 52.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15853 ATOM 15849 HW1 SOL 4759 24.190 32.050 53.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15854 ATOM 15850 HW2 SOL 4759 25.060 33.160 52.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15855 ATOM 15851 OW SOL 4760 34.570 21.410 48.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15856 ATOM 15852 HW1 SOL 4760 34.680 20.480 47.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15857 ATOM 15853 HW2 SOL 4760 33.640 21.740 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15858 ATOM 15854 OW SOL 4761 23.070 21.830 42.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15859 ATOM 15855 HW1 SOL 4761 23.050 22.050 41.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15860 ATOM 15856 HW2 SOL 4761 22.380 22.390 42.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15861 ATOM 15857 OW SOL 4762 20.930 23.860 49.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15862 ATOM 15858 HW1 SOL 4762 21.120 23.440 49.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15863 ATOM 15859 HW2 SOL 4762 21.580 23.530 48.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15864 ATOM 15860 OW SOL 4763 31.660 21.810 48.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15865 ATOM 15861 HW1 SOL 4763 31.290 21.790 49.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15866 ATOM 15862 HW2 SOL 4763 30.930 21.610 48.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15867 ATOM 15863 OW SOL 4764 27.570 18.630 48.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15868 ATOM 15864 HW1 SOL 4764 27.360 18.080 47.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15869 ATOM 15865 HW2 SOL 4764 28.460 18.360 49.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15870 ATOM 15866 OW SOL 4765 25.670 33.390 48.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15871 ATOM 15867 HW1 SOL 4765 25.250 34.200 49.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15872 ATOM 15868 HW2 SOL 4765 26.630 33.350 49.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15873 ATOM 15869 OW SOL 4766 30.780 20.640 38.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15874 ATOM 15870 HW1 SOL 4766 30.130 20.150 38.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15875 ATOM 15871 HW2 SOL 4766 31.420 21.140 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15876 ATOM 15872 OW SOL 4767 18.190 30.070 37.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15877 ATOM 15873 HW1 SOL 4767 17.850 29.700 36.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15878 ATOM 15874 HW2 SOL 4767 19.030 29.580 38.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15879 ATOM 15875 OW SOL 4768 22.250 26.230 57.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15880 ATOM 15876 HW1 SOL 4768 21.770 25.360 57.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15881 ATOM 15877 HW2 SOL 4768 22.070 26.810 56.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15882 ATOM 15878 OW SOL 4769 20.350 20.880 67.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15883 ATOM 15879 HW1 SOL 4769 21.020 20.150 67.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15884 ATOM 15880 HW2 SOL 4769 19.950 21.150 66.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15885 ATOM 15881 OW SOL 4770 18.340 22.480 61.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15886 ATOM 15882 HW1 SOL 4770 17.480 22.920 62.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15887 ATOM 15883 HW2 SOL 4770 19.090 22.900 62.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15888 ATOM 15884 OW SOL 4771 22.520 32.190 67.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15889 ATOM 15885 HW1 SOL 4771 21.760 31.860 66.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15890 ATOM 15886 HW2 SOL 4771 22.510 33.190 67.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15891 ATOM 15887 OW SOL 4772 33.130 33.220 60.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15892 ATOM 15888 HW1 SOL 4772 32.950 32.250 60.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15893 ATOM 15889 HW2 SOL 4772 32.630 33.550 59.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15894 ATOM 15890 OW SOL 4773 29.060 26.500 61.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15895 ATOM 15891 HW1 SOL 4773 29.030 27.500 61.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15896 ATOM 15892 HW2 SOL 4773 28.850 26.160 62.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15897 ATOM 15893 OW SOL 4774 35.810 23.820 57.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15898 ATOM 15894 HW1 SOL 4774 35.100 24.310 57.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15899 ATOM 15895 HW2 SOL 4774 35.380 23.280 58.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15900 ATOM 15896 OW SOL 4775 24.990 31.180 67.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15901 ATOM 15897 HW1 SOL 4775 24.260 31.850 67.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15902 ATOM 15898 HW2 SOL 4775 25.620 31.270 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15903 ATOM 15899 OW SOL 4776 27.770 25.310 71.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15904 ATOM 15900 HW1 SOL 4776 28.170 24.550 72.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15905 ATOM 15901 HW2 SOL 4776 28.100 25.280 70.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15906 ATOM 15902 OW SOL 4777 25.050 27.790 62.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15907 ATOM 15903 HW1 SOL 4777 26.040 27.860 62.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15908 ATOM 15904 HW2 SOL 4777 24.620 28.660 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15909 ATOM 15905 OW SOL 4778 22.490 35.160 66.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15910 ATOM 15906 HW1 SOL 4778 21.990 34.770 66.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15911 ATOM 15907 HW2 SOL 4778 23.440 35.330 66.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15912 ATOM 15908 OW SOL 4779 33.090 34.880 68.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15913 ATOM 15909 HW1 SOL 4779 34.020 35.000 69.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15914 ATOM 15910 HW2 SOL 4779 32.470 35.500 69.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15915 ATOM 15911 OW SOL 4780 24.490 22.690 69.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15916 ATOM 15912 HW1 SOL 4780 25.180 22.790 68.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15917 ATOM 15913 HW2 SOL 4780 24.460 21.740 69.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15918 ATOM 15914 OW SOL 4781 35.070 22.420 62.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15919 ATOM 15915 HW1 SOL 4781 34.840 21.540 62.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15920 ATOM 15916 HW2 SOL 4781 34.240 22.820 63.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15921 ATOM 15917 OW SOL 4782 19.890 37.860 59.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15922 ATOM 15918 HW1 SOL 4782 19.700 38.470 60.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15923 ATOM 15919 HW2 SOL 4782 20.540 38.300 58.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15924 ATOM 15920 OW SOL 4783 20.620 35.100 60.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15925 ATOM 15921 HW1 SOL 4783 20.580 36.070 60.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15926 ATOM 15922 HW2 SOL 4783 20.070 34.580 60.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15927 ATOM 15923 OW SOL 4784 21.700 29.420 64.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15928 ATOM 15924 HW1 SOL 4784 21.890 28.450 64.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15929 ATOM 15925 HW2 SOL 4784 21.280 29.820 65.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15930 ATOM 15926 OW SOL 4785 23.100 36.260 71.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15931 ATOM 15927 HW1 SOL 4785 22.350 36.130 71.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15932 ATOM 15928 HW2 SOL 4785 23.600 37.090 71.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15933 ATOM 15929 OW SOL 4786 26.460 28.580 58.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15934 ATOM 15930 HW1 SOL 4786 26.740 27.870 57.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15935 ATOM 15931 HW2 SOL 4786 26.070 28.150 59.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15936 ATOM 15932 OW SOL 4787 32.790 21.100 72.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15937 ATOM 15933 HW1 SOL 4787 33.460 21.270 71.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15938 ATOM 15934 HW2 SOL 4787 32.270 21.940 72.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15939 ATOM 15935 OW SOL 4788 19.670 23.950 64.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15940 ATOM 15936 HW1 SOL 4788 20.360 23.910 64.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15941 ATOM 15937 HW2 SOL 4788 18.880 24.470 64.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15942 ATOM 15938 OW SOL 4789 36.610 36.510 58.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15943 ATOM 15939 HW1 SOL 4789 37.000 36.200 58.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15944 ATOM 15940 HW2 SOL 4789 36.940 37.440 57.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15945 ATOM 15941 OW SOL 4790 21.710 35.450 57.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15946 ATOM 15942 HW1 SOL 4790 22.490 34.830 57.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15947 ATOM 15943 HW2 SOL 4790 21.410 35.410 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15948 ATOM 15944 OW SOL 4791 33.620 27.510 62.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15949 ATOM 15945 HW1 SOL 4791 33.490 26.700 61.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15950 ATOM 15946 HW2 SOL 4791 34.280 28.130 61.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15951 ATOM 15947 OW SOL 4792 35.210 28.400 59.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15952 ATOM 15948 HW1 SOL 4792 35.970 27.770 59.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15953 ATOM 15949 HW2 SOL 4792 35.410 29.280 59.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15954 ATOM 15950 OW SOL 4793 21.190 26.270 71.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15955 ATOM 15951 HW1 SOL 4793 21.800 25.690 71.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15956 ATOM 15952 HW2 SOL 4793 21.710 26.720 70.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15957 ATOM 15953 OW SOL 4794 25.020 32.600 62.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15958 ATOM 15954 HW1 SOL 4794 24.330 31.880 62.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15959 ATOM 15955 HW2 SOL 4794 24.860 33.210 62.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15960 ATOM 15956 OW SOL 4795 30.360 30.880 69.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15961 ATOM 15957 HW1 SOL 4795 31.260 30.970 69.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15962 ATOM 15958 HW2 SOL 4795 30.100 31.750 70.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15963 ATOM 15959 OW SOL 4796 26.340 18.150 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15964 ATOM 15960 HW1 SOL 4796 26.810 19.030 60.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15965 ATOM 15961 HW2 SOL 4796 25.380 18.260 60.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15966 ATOM 15962 OW SOL 4797 20.920 29.480 69.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15967 ATOM 15963 HW1 SOL 4797 21.530 28.690 69.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15968 ATOM 15964 HW2 SOL 4797 20.400 29.510 68.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15969 ATOM 15965 OW SOL 4798 32.570 27.920 58.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15970 ATOM 15966 HW1 SOL 4798 32.220 27.280 59.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15971 ATOM 15967 HW2 SOL 4798 33.500 28.210 59.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15972 ATOM 15968 OW SOL 4799 31.900 38.140 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15973 ATOM 15969 HW1 SOL 4799 32.680 38.150 70.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15974 ATOM 15970 HW2 SOL 4799 31.220 37.480 70.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15975 ATOM 15971 OW SOL 4800 21.060 23.220 1.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15976 ATOM 15972 HW1 SOL 4800 21.080 24.080 1.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15977 ATOM 15973 HW2 SOL 4800 20.950 23.420 0.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15978 ATOM 15974 OW SOL 4801 34.650 33.290 64.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15979 ATOM 15975 HW1 SOL 4801 34.110 33.280 64.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15980 ATOM 15976 HW2 SOL 4801 34.980 32.370 63.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15981 ATOM 15977 OW SOL 4802 35.100 39.790 58.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15982 ATOM 15978 HW1 SOL 4802 34.790 40.110 59.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15983 ATOM 15979 HW2 SOL 4802 35.940 39.260 58.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15984 ATOM 15980 OW SOL 4803 23.320 24.920 59.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15985 ATOM 15981 HW1 SOL 4803 22.860 25.630 59.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15986 ATOM 15982 HW2 SOL 4803 22.690 24.180 59.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15987 ATOM 15983 OW SOL 4804 31.350 22.160 62.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15988 ATOM 15984 HW1 SOL 4804 30.530 22.590 63.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15989 ATOM 15985 HW2 SOL 4804 31.870 21.730 63.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15990 ATOM 15986 OW SOL 4805 34.100 37.150 59.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15991 ATOM 15987 HW1 SOL 4805 34.440 36.870 58.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15992 ATOM 15988 HW2 SOL 4805 34.030 36.350 60.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15993 ATOM 15989 OW SOL 4806 26.030 26.170 68.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15994 ATOM 15990 HW1 SOL 4806 25.740 26.600 69.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15995 ATOM 15991 HW2 SOL 4806 25.240 25.760 68.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15996 ATOM 15992 OW SOL 4807 30.410 27.520 69.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15997 ATOM 15993 HW1 SOL 4807 29.840 26.820 69.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15998 ATOM 15994 HW2 SOL 4807 30.760 28.150 69.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
15999 ATOM 15995 OW SOL 4808 28.960 23.850 67.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16000 ATOM 15996 HW1 SOL 4808 28.010 23.550 67.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16001 ATOM 15997 HW2 SOL 4808 29.100 24.480 66.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16002 ATOM 15998 OW SOL 4809 28.140 25.380 59.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16003 ATOM 15999 HW1 SOL 4809 28.520 25.860 60.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16004 ATOM 16000 HW2 SOL 4809 27.300 24.920 59.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16005 ATOM 16001 OW SOL 4810 19.160 27.400 66.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16006 ATOM 16002 HW1 SOL 4810 20.140 27.510 65.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16007 ATOM 16003 HW2 SOL 4810 18.690 28.260 65.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16008 ATOM 16004 OW SOL 4811 18.730 39.550 70.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16009 ATOM 16005 HW1 SOL 4811 18.520 40.480 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16010 ATOM 16006 HW2 SOL 4811 17.900 38.990 70.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16011 ATOM 16007 OW SOL 4812 26.800 21.860 57.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16012 ATOM 16008 HW1 SOL 4812 26.970 22.640 56.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16013 ATOM 16009 HW2 SOL 4812 26.590 21.050 56.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16014 ATOM 16010 OW SOL 4813 30.620 30.180 60.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16015 ATOM 16011 HW1 SOL 4813 30.980 29.760 60.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16016 ATOM 16012 HW2 SOL 4813 30.400 31.140 60.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16017 ATOM 16013 OW SOL 4814 25.140 19.530 63.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16018 ATOM 16014 HW1 SOL 4814 25.080 20.060 64.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16019 ATOM 16015 HW2 SOL 4814 25.360 18.580 63.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16020 ATOM 16016 OW SOL 4815 27.430 33.430 59.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16021 ATOM 16017 HW1 SOL 4815 27.910 34.000 59.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16022 ATOM 16018 HW2 SOL 4815 26.840 34.010 60.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16023 ATOM 16019 OW SOL 4816 22.200 36.820 63.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16024 ATOM 16020 HW1 SOL 4816 22.660 36.340 64.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16025 ATOM 16021 HW2 SOL 4816 22.250 37.810 63.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16026 ATOM 16022 OW SOL 4817 38.820 28.010 62.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16027 ATOM 16023 HW1 SOL 4817 37.970 28.200 63.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16028 ATOM 16024 HW2 SOL 4817 39.320 27.280 63.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16029 ATOM 16025 OW SOL 4818 30.590 35.830 69.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16030 ATOM 16026 HW1 SOL 4818 30.310 35.080 69.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16031 ATOM 16027 HW2 SOL 4818 29.780 36.270 70.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16032 ATOM 16028 OW SOL 4819 22.670 28.650 58.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16033 ATOM 16029 HW1 SOL 4819 23.590 28.470 59.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16034 ATOM 16030 HW2 SOL 4819 22.400 27.900 58.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16035 ATOM 16031 OW SOL 4820 32.750 27.820 64.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16036 ATOM 16032 HW1 SOL 4820 32.210 26.970 64.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16037 ATOM 16033 HW2 SOL 4820 33.340 27.870 63.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16038 ATOM 16034 OW SOL 4821 23.670 30.680 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16039 ATOM 16035 HW1 SOL 4821 23.490 29.700 0.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16040 ATOM 16036 HW2 SOL 4821 22.820 31.180 0.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16041 ATOM 16037 OW SOL 4822 28.380 37.600 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16042 ATOM 16038 HW1 SOL 4822 28.950 37.570 59.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16043 ATOM 16039 HW2 SOL 4822 28.010 36.690 58.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16044 ATOM 16040 OW SOL 4823 21.140 22.130 69.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16045 ATOM 16041 HW1 SOL 4823 20.920 21.760 68.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16046 ATOM 16042 HW2 SOL 4823 20.350 22.620 70.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16047 ATOM 16043 OW SOL 4824 36.090 31.890 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16048 ATOM 16044 HW1 SOL 4824 35.720 32.150 58.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16049 ATOM 16045 HW2 SOL 4824 35.380 31.470 56.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16050 ATOM 16046 OW SOL 4825 24.330 37.870 57.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16051 ATOM 16047 HW1 SOL 4825 24.410 38.030 58.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16052 ATOM 16048 HW2 SOL 4825 24.600 36.920 57.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16053 ATOM 16049 OW SOL 4826 31.350 19.140 60.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16054 ATOM 16050 HW1 SOL 4826 31.230 18.400 59.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16055 ATOM 16051 HW2 SOL 4826 32.250 19.060 61.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16056 ATOM 16052 OW SOL 4827 21.650 36.720 69.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16057 ATOM 16053 HW1 SOL 4827 22.360 36.590 69.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16058 ATOM 16054 HW2 SOL 4827 21.930 36.280 68.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16059 ATOM 16055 OW SOL 4828 27.850 36.150 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16060 ATOM 16056 HW1 SOL 4828 28.460 36.390 62.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16061 ATOM 16057 HW2 SOL 4828 26.940 36.510 62.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16062 ATOM 16058 OW SOL 4829 20.600 24.690 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16063 ATOM 16059 HW1 SOL 4829 20.840 23.760 60.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16064 ATOM 16060 HW2 SOL 4829 20.250 24.670 62.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16065 ATOM 16061 OW SOL 4830 25.830 19.600 56.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16066 ATOM 16062 HW1 SOL 4830 26.700 19.200 56.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16067 ATOM 16063 HW2 SOL 4830 25.190 19.590 55.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16068 ATOM 16064 OW SOL 4831 26.930 20.860 70.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16069 ATOM 16065 HW1 SOL 4831 27.640 21.560 70.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16070 ATOM 16066 HW2 SOL 4831 26.920 20.300 71.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16071 ATOM 16067 OW SOL 4832 25.260 34.660 67.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16072 ATOM 16068 HW1 SOL 4832 25.470 35.620 67.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16073 ATOM 16069 HW2 SOL 4832 25.390 34.120 67.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16074 ATOM 16070 OW SOL 4833 33.270 23.290 67.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16075 ATOM 16071 HW1 SOL 4833 34.210 23.200 67.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16076 ATOM 16072 HW2 SOL 4833 32.910 24.180 67.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16077 ATOM 16073 OW SOL 4834 25.940 33.070 65.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16078 ATOM 16074 HW1 SOL 4834 26.910 32.880 65.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16079 ATOM 16075 HW2 SOL 4834 25.400 32.760 64.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16080 ATOM 16076 OW SOL 4835 27.110 23.780 63.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16081 ATOM 16077 HW1 SOL 4835 26.440 23.280 62.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16082 ATOM 16078 HW2 SOL 4835 27.750 23.140 63.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16083 ATOM 16079 OW SOL 4836 23.600 18.720 59.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16084 ATOM 16080 HW1 SOL 4836 23.170 19.050 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16085 ATOM 16081 HW2 SOL 4836 23.590 19.450 58.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16086 ATOM 16082 OW SOL 4837 31.300 28.450 56.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16087 ATOM 16083 HW1 SOL 4837 31.900 28.200 57.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16088 ATOM 16084 HW2 SOL 4837 30.810 29.290 56.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16089 ATOM 16085 OW SOL 4838 21.140 17.460 56.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16090 ATOM 16086 HW1 SOL 4838 21.790 17.030 55.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16091 ATOM 16087 HW2 SOL 4838 21.390 17.250 57.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16092 ATOM 16088 OW SOL 4839 27.370 20.580 60.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16093 ATOM 16089 HW1 SOL 4839 27.110 20.860 59.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16094 ATOM 16090 HW2 SOL 4839 28.360 20.620 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16095 ATOM 16091 OW SOL 4840 28.720 25.470 69.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16096 ATOM 16092 HW1 SOL 4840 27.860 25.790 68.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16097 ATOM 16093 HW2 SOL 4840 28.990 24.610 68.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16098 ATOM 16094 OW SOL 4841 29.760 34.070 63.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16099 ATOM 16095 HW1 SOL 4841 29.050 34.680 63.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16100 ATOM 16096 HW2 SOL 4841 30.590 34.160 63.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16101 ATOM 16097 OW SOL 4842 23.540 30.080 62.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16102 ATOM 16098 HW1 SOL 4842 22.920 30.050 63.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16103 ATOM 16099 HW2 SOL 4842 23.030 30.290 61.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16104 ATOM 16100 OW SOL 4843 27.900 24.390 55.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16105 ATOM 16101 HW1 SOL 4843 27.000 24.430 55.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16106 ATOM 16102 HW2 SOL 4843 28.170 25.290 56.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16107 ATOM 16103 OW SOL 4844 19.360 24.890 69.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16108 ATOM 16104 HW1 SOL 4844 20.140 25.510 69.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16109 ATOM 16105 HW2 SOL 4844 19.130 24.460 70.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16110 ATOM 16106 OW SOL 4845 25.430 20.510 65.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16111 ATOM 16107 HW1 SOL 4845 26.010 20.180 66.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16112 ATOM 16108 HW2 SOL 4845 24.530 20.750 66.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16113 ATOM 16109 OW SOL 4846 25.220 21.890 61.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16114 ATOM 16110 HW1 SOL 4846 25.710 22.030 60.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16115 ATOM 16111 HW2 SOL 4846 25.060 20.910 62.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16116 ATOM 16112 OW SOL 4847 28.040 19.990 62.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16117 ATOM 16113 HW1 SOL 4847 27.930 20.790 62.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16118 ATOM 16114 HW2 SOL 4847 27.180 19.780 63.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16119 ATOM 16115 OW SOL 4848 35.560 30.830 63.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16120 ATOM 16116 HW1 SOL 4848 35.250 29.970 64.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16121 ATOM 16117 HW2 SOL 4848 36.500 30.720 63.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16122 ATOM 16118 OW SOL 4849 31.250 25.660 63.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16123 ATOM 16119 HW1 SOL 4849 31.430 25.080 62.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16124 ATOM 16120 HW2 SOL 4849 30.270 25.720 63.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16125 ATOM 16121 OW SOL 4850 37.990 24.450 59.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16126 ATOM 16122 HW1 SOL 4850 38.140 23.790 60.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16127 ATOM 16123 HW2 SOL 4850 37.220 24.160 58.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16128 ATOM 16124 OW SOL 4851 23.490 33.480 58.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16129 ATOM 16125 HW1 SOL 4851 22.640 32.960 58.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16130 ATOM 16126 HW2 SOL 4851 24.080 33.280 58.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16131 ATOM 16127 OW SOL 4852 35.330 30.460 61.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16132 ATOM 16128 HW1 SOL 4852 35.200 30.610 62.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16133 ATOM 16129 HW2 SOL 4852 35.700 31.290 60.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16134 ATOM 16130 OW SOL 4853 30.920 22.460 56.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16135 ATOM 16131 HW1 SOL 4853 30.710 23.130 56.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16136 ATOM 16132 HW2 SOL 4853 31.760 21.970 56.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16137 ATOM 16133 OW SOL 4854 23.690 20.710 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16138 ATOM 16134 HW1 SOL 4854 24.430 20.250 57.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16139 ATOM 16135 HW2 SOL 4854 23.710 21.690 57.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16140 ATOM 16136 OW SOL 4855 33.970 30.740 69.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16141 ATOM 16137 HW1 SOL 4855 34.500 31.300 70.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16142 ATOM 16138 HW2 SOL 4855 33.920 29.800 70.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16143 ATOM 16139 OW SOL 4856 30.450 32.840 66.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16144 ATOM 16140 HW1 SOL 4856 29.880 33.070 67.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16145 ATOM 16141 HW2 SOL 4856 30.280 33.480 65.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16146 ATOM 16142 OW SOL 4857 27.200 30.000 66.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16147 ATOM 16143 HW1 SOL 4857 27.720 30.080 66.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16148 ATOM 16144 HW2 SOL 4857 27.470 30.740 65.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16149 ATOM 16145 OW SOL 4858 34.470 28.550 66.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16150 ATOM 16146 HW1 SOL 4858 34.780 29.500 66.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16151 ATOM 16147 HW2 SOL 4858 33.650 28.520 65.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16152 ATOM 16148 OW SOL 4859 29.130 19.570 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16153 ATOM 16149 HW1 SOL 4859 29.720 18.770 66.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16154 ATOM 16150 HW2 SOL 4859 29.690 20.400 66.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16155 ATOM 16151 OW SOL 4860 24.770 27.120 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16156 ATOM 16152 HW1 SOL 4860 24.950 27.320 61.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16157 ATOM 16153 HW2 SOL 4860 24.400 26.200 60.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16158 ATOM 16154 OW SOL 4861 22.670 27.330 69.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16159 ATOM 16155 HW1 SOL 4861 23.460 27.790 69.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16160 ATOM 16156 HW2 SOL 4861 22.920 26.400 69.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16161 ATOM 16157 OW SOL 4862 30.700 21.960 66.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16162 ATOM 16158 HW1 SOL 4862 31.670 22.190 67.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16163 ATOM 16159 HW2 SOL 4862 30.140 22.770 67.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16164 ATOM 16160 OW SOL 4863 19.980 34.760 69.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16165 ATOM 16161 HW1 SOL 4863 20.410 35.620 69.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16166 ATOM 16162 HW2 SOL 4863 20.660 34.030 69.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16167 ATOM 16163 OW SOL 4864 21.970 30.640 60.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16168 ATOM 16164 HW1 SOL 4864 21.810 31.380 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16169 ATOM 16165 HW2 SOL 4864 22.230 29.810 60.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16170 ATOM 16166 OW SOL 4865 23.160 22.940 63.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16171 ATOM 16167 HW1 SOL 4865 23.220 23.930 63.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16172 ATOM 16168 HW2 SOL 4865 23.890 22.530 62.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16173 ATOM 16169 OW SOL 4866 30.090 32.380 59.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16174 ATOM 16170 HW1 SOL 4866 30.570 33.110 59.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16175 ATOM 16171 HW2 SOL 4866 29.210 32.720 60.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16176 ATOM 16172 OW SOL 4867 32.930 33.530 66.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16177 ATOM 16173 HW1 SOL 4867 33.040 34.160 67.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16178 ATOM 16174 HW2 SOL 4867 32.000 33.170 66.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16179 ATOM 16175 OW SOL 4868 33.120 25.550 60.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16180 ATOM 16176 HW1 SOL 4868 32.340 25.010 60.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16181 ATOM 16177 HW2 SOL 4868 33.330 25.320 59.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16182 ATOM 16178 OW SOL 4869 21.660 32.740 70.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16183 ATOM 16179 HW1 SOL 4869 21.370 31.940 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16184 ATOM 16180 HW2 SOL 4869 22.650 32.870 70.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16185 ATOM 16181 OW SOL 4870 23.630 25.900 72.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16186 ATOM 16182 HW1 SOL 4870 23.960 26.770 72.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16187 ATOM 16183 HW2 SOL 4870 24.340 25.210 72.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16188 ATOM 16184 OW SOL 4871 34.170 26.870 71.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16189 ATOM 16185 HW1 SOL 4871 33.710 27.750 71.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16190 ATOM 16186 HW2 SOL 4871 34.350 26.660 70.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16191 ATOM 16187 OW SOL 4872 24.640 28.310 66.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16192 ATOM 16188 HW1 SOL 4872 25.110 29.170 66.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16193 ATOM 16189 HW2 SOL 4872 24.090 28.410 67.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16194 ATOM 16190 OW SOL 4873 30.820 27.770 66.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16195 ATOM 16191 HW1 SOL 4873 29.900 27.470 66.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16196 ATOM 16192 HW2 SOL 4873 30.930 28.740 66.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16197 ATOM 16193 OW SOL 4874 30.480 24.290 57.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16198 ATOM 16194 HW1 SOL 4874 30.760 24.200 58.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16199 ATOM 16195 HW2 SOL 4874 29.500 24.500 57.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16200 ATOM 16196 OW SOL 4875 22.480 19.600 66.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16201 ATOM 16197 HW1 SOL 4875 23.210 19.250 66.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16202 ATOM 16198 HW2 SOL 4875 22.230 18.910 65.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16203 ATOM 16199 OW SOL 4876 18.920 31.910 68.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16204 ATOM 16200 HW1 SOL 4876 19.140 31.570 69.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16205 ATOM 16201 HW2 SOL 4876 18.650 32.870 68.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16206 ATOM 16202 OW SOL 4877 25.030 25.550 65.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16207 ATOM 16203 HW1 SOL 4877 25.200 25.250 64.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16208 ATOM 16204 HW2 SOL 4877 24.820 26.530 65.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16209 ATOM 16205 OW SOL 4878 22.620 19.420 62.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16210 ATOM 16206 HW1 SOL 4878 21.960 20.090 62.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16211 ATOM 16207 HW2 SOL 4878 23.530 19.660 62.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16212 ATOM 16208 OW SOL 4879 34.360 22.770 59.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16213 ATOM 16209 HW1 SOL 4879 33.890 21.960 60.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16214 ATOM 16210 HW2 SOL 4879 34.190 23.540 60.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16215 ATOM 16211 OW SOL 4880 28.590 25.790 64.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16216 ATOM 16212 HW1 SOL 4880 28.110 26.530 64.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16217 ATOM 16213 HW2 SOL 4880 27.930 25.080 63.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16218 ATOM 16214 OW SOL 4881 36.080 31.850 71.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16219 ATOM 16215 HW1 SOL 4881 36.660 32.330 71.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16220 ATOM 16216 HW2 SOL 4881 36.650 31.310 70.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16221 ATOM 16217 OW SOL 4882 33.350 21.380 57.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16222 ATOM 16218 HW1 SOL 4882 32.980 20.460 57.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16223 ATOM 16219 HW2 SOL 4882 34.090 21.540 57.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16224 ATOM 16220 OW SOL 4883 33.610 26.130 55.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16225 ATOM 16221 HW1 SOL 4883 34.180 25.360 54.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16226 ATOM 16222 HW2 SOL 4883 33.450 26.720 54.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16227 ATOM 16223 OW SOL 4884 27.960 32.080 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16228 ATOM 16224 HW1 SOL 4884 27.270 32.120 63.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16229 ATOM 16225 HW2 SOL 4884 28.660 32.780 64.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16230 ATOM 16226 OW SOL 4885 21.740 26.690 65.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16231 ATOM 16227 HW1 SOL 4885 21.570 26.060 65.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16232 ATOM 16228 HW2 SOL 4885 21.900 26.150 64.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16233 ATOM 16229 OW SOL 4886 23.140 22.190 65.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16234 ATOM 16230 HW1 SOL 4886 22.670 21.310 65.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16235 ATOM 16231 HW2 SOL 4886 23.430 22.410 64.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16236 ATOM 16232 OW SOL 4887 29.990 19.620 70.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16237 ATOM 16233 HW1 SOL 4887 29.820 20.570 70.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16238 ATOM 16234 HW2 SOL 4887 29.560 19.010 69.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16239 ATOM 16235 OW SOL 4888 19.330 32.580 56.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16240 ATOM 16236 HW1 SOL 4888 18.500 33.080 56.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16241 ATOM 16237 HW2 SOL 4888 19.180 31.600 56.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16242 ATOM 16238 OW SOL 4889 19.000 37.420 63.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16243 ATOM 16239 HW1 SOL 4889 19.060 38.140 62.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16244 ATOM 16240 HW2 SOL 4889 19.920 37.130 63.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16245 ATOM 16241 OW SOL 4890 24.620 35.770 65.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16246 ATOM 16242 HW1 SOL 4890 24.770 36.520 64.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16247 ATOM 16243 HW2 SOL 4890 25.470 35.250 65.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16248 ATOM 16244 OW SOL 4891 27.900 27.050 66.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16249 ATOM 16245 HW1 SOL 4891 27.070 26.510 66.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16250 ATOM 16246 HW2 SOL 4891 27.740 27.990 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16251 ATOM 16247 OW SOL 4892 21.150 24.050 66.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16252 ATOM 16248 HW1 SOL 4892 21.910 23.400 66.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16253 ATOM 16249 HW2 SOL 4892 20.320 23.670 66.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16254 ATOM 16250 OW SOL 4893 26.010 23.590 59.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16255 ATOM 16251 HW1 SOL 4893 26.310 22.950 58.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16256 ATOM 16252 HW2 SOL 4893 25.020 23.690 59.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16257 ATOM 16253 OW SOL 4894 33.530 24.110 64.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16258 ATOM 16254 HW1 SOL 4894 32.650 24.560 64.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16259 ATOM 16255 HW2 SOL 4894 33.360 23.190 65.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16260 ATOM 16256 OW SOL 4895 21.060 36.260 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16261 ATOM 16257 HW1 SOL 4895 20.490 35.440 0.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16262 ATOM 16258 HW2 SOL 4895 21.800 36.210 1.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16263 ATOM 16259 OW SOL 4896 26.210 23.070 66.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16264 ATOM 16260 HW1 SOL 4896 25.770 22.280 66.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16265 ATOM 16261 HW2 SOL 4896 25.700 23.900 66.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16266 ATOM 16262 OW SOL 4897 28.850 34.040 68.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16267 ATOM 16263 HW1 SOL 4897 28.660 33.520 69.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16268 ATOM 16264 HW2 SOL 4897 27.990 34.220 68.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16269 ATOM 16265 OW SOL 4898 23.620 23.390 57.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16270 ATOM 16266 HW1 SOL 4898 23.400 23.970 57.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16271 ATOM 16267 HW2 SOL 4898 24.340 23.830 56.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16272 ATOM 16268 OW SOL 4899 18.990 30.560 70.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16273 ATOM 16269 HW1 SOL 4899 18.990 30.380 71.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16274 ATOM 16270 HW2 SOL 4899 19.730 30.030 70.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16275 ATOM 16271 OW SOL 4900 31.340 30.320 66.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16276 ATOM 16272 HW1 SOL 4900 31.100 31.280 66.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16277 ATOM 16273 HW2 SOL 4900 31.500 29.880 65.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16278 ATOM 16274 OW SOL 4901 33.150 24.980 57.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16279 ATOM 16275 HW1 SOL 4901 32.230 24.580 57.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16280 ATOM 16276 HW2 SOL 4901 33.280 25.540 56.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16281 ATOM 16277 OW SOL 4902 36.300 33.320 67.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16282 ATOM 16278 HW1 SOL 4902 36.530 33.880 66.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16283 ATOM 16279 HW2 SOL 4902 35.450 32.840 67.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16284 ATOM 16280 OW SOL 4903 31.750 34.670 62.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16285 ATOM 16281 HW1 SOL 4903 32.450 34.150 61.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16286 ATOM 16282 HW2 SOL 4903 31.250 35.250 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16287 ATOM 16283 OW SOL 4904 20.190 30.340 66.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16288 ATOM 16284 HW1 SOL 4904 19.970 30.980 67.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16289 ATOM 16285 HW2 SOL 4904 19.350 30.000 66.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16290 ATOM 16286 OW SOL 4905 34.710 20.140 61.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16291 ATOM 16287 HW1 SOL 4905 35.510 19.920 60.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16292 ATOM 16288 HW2 SOL 4905 34.460 19.350 62.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16293 ATOM 16289 OW SOL 4906 31.710 34.310 58.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16294 ATOM 16290 HW1 SOL 4906 32.400 34.210 57.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16295 ATOM 16291 HW2 SOL 4906 31.260 35.190 58.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16296 ATOM 16292 OW SOL 4907 30.590 29.270 63.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16297 ATOM 16293 HW1 SOL 4907 31.400 28.840 63.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16298 ATOM 16294 HW2 SOL 4907 30.790 29.570 62.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16299 ATOM 16295 OW SOL 4908 26.110 30.000 70.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16300 ATOM 16296 HW1 SOL 4908 26.370 30.540 70.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16301 ATOM 16297 HW2 SOL 4908 25.760 30.610 69.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16302 ATOM 16298 OW SOL 4909 25.260 35.090 57.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16303 ATOM 16299 HW1 SOL 4909 25.290 35.120 56.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16304 ATOM 16300 HW2 SOL 4909 24.740 34.300 57.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16305 ATOM 16301 OW SOL 4910 35.820 35.030 69.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16306 ATOM 16302 HW1 SOL 4910 36.450 34.420 69.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16307 ATOM 16303 HW2 SOL 4910 36.330 35.790 70.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16308 ATOM 16304 OW SOL 4911 35.800 20.190 65.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16309 ATOM 16305 HW1 SOL 4911 35.970 19.380 65.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16310 ATOM 16306 HW2 SOL 4911 36.110 21.000 65.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16311 ATOM 16307 OW SOL 4912 21.020 21.140 63.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16312 ATOM 16308 HW1 SOL 4912 20.090 21.400 63.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16313 ATOM 16309 HW2 SOL 4912 21.630 21.920 63.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16314 ATOM 16310 OW SOL 4913 30.280 36.000 54.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16315 ATOM 16311 HW1 SOL 4913 30.530 36.160 53.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16316 ATOM 16312 HW2 SOL 4913 29.450 35.450 54.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16317 ATOM 16313 OW SOL 4914 28.310 29.330 68.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16318 ATOM 16314 HW1 SOL 4914 29.050 29.610 69.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16319 ATOM 16315 HW2 SOL 4914 27.490 29.130 69.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16320 ATOM 16316 OW SOL 4915 28.300 26.930 56.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16321 ATOM 16317 HW1 SOL 4915 29.260 27.190 56.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16322 ATOM 16318 HW2 SOL 4915 28.190 26.380 57.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16323 ATOM 16319 OW SOL 4916 33.830 33.680 56.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16324 ATOM 16320 HW1 SOL 4916 34.070 32.890 56.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16325 ATOM 16321 HW2 SOL 4916 33.720 34.490 56.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16326 ATOM 16322 OW SOL 4917 20.670 33.160 0.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16327 ATOM 16323 HW1 SOL 4917 21.140 33.130 -0.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16328 ATOM 16324 HW2 SOL 4917 19.910 32.510 0.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16329 ATOM 16325 OW SOL 4918 34.490 31.250 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16330 ATOM 16326 HW1 SOL 4918 34.230 30.920 68.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16331 ATOM 16327 HW2 SOL 4918 33.820 31.930 66.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16332 ATOM 16328 OW SOL 4919 27.840 30.050 60.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16333 ATOM 16329 HW1 SOL 4919 27.760 29.690 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16334 ATOM 16330 HW2 SOL 4919 28.800 30.250 60.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16335 ATOM 16331 OW SOL 4920 29.040 22.320 64.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16336 ATOM 16332 HW1 SOL 4920 28.980 21.460 64.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16337 ATOM 16333 HW2 SOL 4920 29.170 22.130 65.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16338 ATOM 16334 OW SOL 4921 23.060 34.880 61.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16339 ATOM 16335 HW1 SOL 4921 22.460 34.880 61.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16340 ATOM 16336 HW2 SOL 4921 22.750 35.580 62.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16341 ATOM 16337 OW SOL 4922 34.780 21.670 70.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16342 ATOM 16338 HW1 SOL 4922 34.890 22.610 70.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16343 ATOM 16339 HW2 SOL 4922 34.830 21.040 69.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16344 ATOM 16340 OW SOL 4923 21.000 32.530 58.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16345 ATOM 16341 HW1 SOL 4923 20.360 32.290 58.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16346 ATOM 16342 HW2 SOL 4923 20.740 33.410 59.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16347 ATOM 16343 OW SOL 4924 19.010 30.930 0.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16348 ATOM 16344 HW1 SOL 4924 18.070 31.160 1.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16349 ATOM 16345 HW2 SOL 4924 19.350 30.220 1.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16350 ATOM 16346 OW SOL 4925 26.850 19.490 68.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16351 ATOM 16347 HW1 SOL 4925 27.760 19.480 67.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16352 ATOM 16348 HW2 SOL 4925 26.880 19.920 69.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16353 ATOM 16349 OW SOL 4926 19.600 21.440 54.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16354 ATOM 16350 HW1 SOL 4926 19.760 20.730 54.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16355 ATOM 16351 HW2 SOL 4926 18.620 21.630 54.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16356 ATOM 16352 OW SOL 4927 32.660 25.870 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16357 ATOM 16353 HW1 SOL 4927 31.950 26.550 67.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16358 ATOM 16354 HW2 SOL 4927 33.420 26.280 67.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16359 ATOM 16355 OW SOL 4928 20.930 20.100 57.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16360 ATOM 16356 HW1 SOL 4928 20.960 19.270 56.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16361 ATOM 16357 HW2 SOL 4928 21.860 20.470 57.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16362 ATOM 16358 OW SOL 4929 30.060 30.580 57.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16363 ATOM 16359 HW1 SOL 4929 29.070 30.620 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16364 ATOM 16360 HW2 SOL 4929 30.490 31.370 58.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16365 ATOM 16361 OW SOL 4930 25.300 27.760 71.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16366 ATOM 16362 HW1 SOL 4930 25.530 28.620 70.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16367 ATOM 16363 HW2 SOL 4930 26.100 27.420 71.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16368 ATOM 16364 OW SOL 4931 33.230 37.580 62.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16369 ATOM 16365 HW1 SOL 4931 32.270 37.540 61.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16370 ATOM 16366 HW2 SOL 4931 33.470 38.520 62.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16371 ATOM 16367 OW SOL 4932 25.230 23.780 71.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16372 ATOM 16368 HW1 SOL 4932 26.120 24.230 71.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16373 ATOM 16369 HW2 SOL 4932 24.990 23.390 70.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16374 ATOM 16370 OW SOL 4933 18.590 38.360 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16375 ATOM 16371 HW1 SOL 4933 17.780 38.530 1.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16376 ATOM 16372 HW2 SOL 4933 19.290 37.920 1.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16377 ATOM 16373 OW SOL 4934 35.190 26.030 65.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16378 ATOM 16374 HW1 SOL 4934 34.490 25.480 65.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16379 ATOM 16375 HW2 SOL 4934 34.800 26.910 66.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16380 ATOM 16376 OW SOL 4935 30.000 21.450 60.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16381 ATOM 16377 HW1 SOL 4935 30.380 20.530 60.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16382 ATOM 16378 HW2 SOL 4935 30.690 22.120 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16383 ATOM 16379 OW SOL 4936 23.150 25.650 62.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16384 ATOM 16380 HW1 SOL 4936 23.710 26.460 62.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16385 ATOM 16381 HW2 SOL 4936 22.380 25.900 62.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16386 ATOM 16382 OW SOL 4937 35.260 26.990 68.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16387 ATOM 16383 HW1 SOL 4937 35.000 27.660 68.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16388 ATOM 16384 HW2 SOL 4937 36.230 27.080 68.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16389 ATOM 16385 OW SOL 4938 27.290 31.210 57.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16390 ATOM 16386 HW1 SOL 4938 27.010 30.310 58.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16391 ATOM 16387 HW2 SOL 4938 27.170 31.890 58.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16392 ATOM 16388 OW SOL 4939 24.890 38.050 63.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16393 ATOM 16389 HW1 SOL 4939 25.210 38.650 64.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16394 ATOM 16390 HW2 SOL 4939 25.250 38.370 62.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16395 ATOM 16391 OW SOL 4940 27.740 28.850 63.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16396 ATOM 16392 HW1 SOL 4940 28.720 28.920 63.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16397 ATOM 16393 HW2 SOL 4940 27.250 29.560 63.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16398 ATOM 16394 OW SOL 4941 31.590 29.120 53.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16399 ATOM 16395 HW1 SOL 4941 30.750 29.620 53.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16400 ATOM 16396 HW2 SOL 4941 31.530 28.820 54.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16401 ATOM 16397 OW SOL 4942 35.160 35.250 62.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16402 ATOM 16398 HW1 SOL 4942 34.530 35.970 62.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16403 ATOM 16399 HW2 SOL 4942 35.070 34.460 63.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16404 ATOM 16400 OW SOL 4943 20.140 31.090 62.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16405 ATOM 16401 HW1 SOL 4943 20.370 30.380 63.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16406 ATOM 16402 HW2 SOL 4943 20.630 30.900 61.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16407 ATOM 16403 OW SOL 4944 25.770 31.990 72.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16408 ATOM 16404 HW1 SOL 4944 25.210 31.550 72.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16409 ATOM 16405 HW2 SOL 4944 25.190 32.460 71.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16410 ATOM 16406 OW SOL 4945 35.030 19.440 68.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16411 ATOM 16407 HW1 SOL 4945 35.630 18.780 69.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16412 ATOM 16408 HW2 SOL 4945 35.320 19.580 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16413 ATOM 16409 OW SOL 4946 21.130 22.270 60.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16414 ATOM 16410 HW1 SOL 4946 20.500 22.210 59.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16415 ATOM 16411 HW2 SOL 4946 21.010 21.470 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16416 ATOM 16412 OW SOL 4947 36.970 27.970 64.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16417 ATOM 16413 HW1 SOL 4947 36.400 27.160 64.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16418 ATOM 16414 HW2 SOL 4947 37.240 28.340 65.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16419 ATOM 16415 OW SOL 4948 23.010 24.850 68.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16420 ATOM 16416 HW1 SOL 4948 23.480 24.000 68.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16421 ATOM 16417 HW2 SOL 4948 22.370 24.670 67.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16422 ATOM 16418 OW SOL 4949 25.540 35.670 61.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16423 ATOM 16419 HW1 SOL 4949 25.590 36.600 60.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16424 ATOM 16420 HW2 SOL 4949 24.600 35.490 61.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16425 ATOM 16421 OW SOL 4950 33.090 21.360 65.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16426 ATOM 16422 HW1 SOL 4950 33.920 20.960 65.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16427 ATOM 16423 HW2 SOL 4950 32.390 20.660 65.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16428 ATOM 16424 OW SOL 4951 31.810 18.820 64.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16429 ATOM 16425 HW1 SOL 4951 31.270 18.470 63.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16430 ATOM 16426 HW2 SOL 4951 31.510 18.400 65.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16431 ATOM 16427 OW SOL 4952 25.040 31.830 60.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16432 ATOM 16428 HW1 SOL 4952 25.220 30.890 60.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16433 ATOM 16429 HW2 SOL 4952 25.890 32.350 60.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16434 ATOM 16430 OW SOL 4953 24.370 33.760 70.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16435 ATOM 16431 HW1 SOL 4953 24.010 34.560 70.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16436 ATOM 16432 HW2 SOL 4953 24.720 34.060 69.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16437 ATOM 16433 OW SOL 4954 31.230 17.500 58.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16438 ATOM 16434 HW1 SOL 4954 31.950 16.830 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16439 ATOM 16435 HW2 SOL 4954 30.360 17.150 58.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16440 ATOM 16436 OW SOL 4955 30.900 24.240 61.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16441 ATOM 16437 HW1 SOL 4955 30.270 24.990 61.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16442 ATOM 16438 HW2 SOL 4955 30.840 23.550 61.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16443 ATOM 16439 OW SOL 4956 36.740 22.690 65.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16444 ATOM 16440 HW1 SOL 4956 36.570 23.120 66.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16445 ATOM 16441 HW2 SOL 4956 36.190 23.130 64.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16446 ATOM 16442 OW SOL 4957 19.790 29.070 58.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16447 ATOM 16443 HW1 SOL 4957 20.760 29.250 58.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16448 ATOM 16444 HW2 SOL 4957 19.660 28.110 59.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16449 ATOM 16445 OW SOL 4958 28.030 34.930 57.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16450 ATOM 16446 HW1 SOL 4958 28.510 34.770 56.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16451 ATOM 16447 HW2 SOL 4958 27.050 35.030 57.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16452 ATOM 16448 OW SOL 4959 21.620 43.990 71.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16453 ATOM 16449 HW1 SOL 4959 21.030 44.350 72.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16454 ATOM 16450 HW2 SOL 4959 21.090 43.840 71.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16455 ATOM 16451 OW SOL 4960 20.490 39.380 10.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16456 ATOM 16452 HW1 SOL 4960 21.270 39.010 11.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16457 ATOM 16453 HW2 SOL 4960 19.650 38.910 10.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16458 ATOM 16454 OW SOL 4961 18.640 40.220 6.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16459 ATOM 16455 HW1 SOL 4961 18.090 39.700 6.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16460 ATOM 16456 HW2 SOL 4961 18.290 40.070 5.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16461 ATOM 16457 OW SOL 4962 23.340 48.730 10.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16462 ATOM 16458 HW1 SOL 4962 22.420 48.470 10.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16463 ATOM 16459 HW2 SOL 4962 23.500 49.700 10.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16464 ATOM 16460 OW SOL 4963 35.540 51.290 6.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16465 ATOM 16461 HW1 SOL 4963 35.430 50.640 7.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16466 ATOM 16462 HW2 SOL 4963 34.960 52.090 6.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16467 ATOM 16463 OW SOL 4964 27.900 44.070 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16468 ATOM 16464 HW1 SOL 4964 27.650 45.000 7.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16469 ATOM 16465 HW2 SOL 4964 28.670 43.770 7.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16470 ATOM 16466 OW SOL 4965 34.800 40.250 71.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16471 ATOM 16467 HW1 SOL 4965 34.110 40.430 71.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16472 ATOM 16468 HW2 SOL 4965 34.360 40.170 72.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16473 ATOM 16469 OW SOL 4966 26.160 48.120 10.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16474 ATOM 16470 HW1 SOL 4966 25.170 48.100 9.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16475 ATOM 16471 HW2 SOL 4966 26.480 49.060 10.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16476 ATOM 16472 OW SOL 4967 26.800 46.640 7.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16477 ATOM 16473 HW1 SOL 4967 27.070 46.500 8.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16478 ATOM 16474 HW2 SOL 4967 25.910 47.090 7.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16479 ATOM 16475 OW SOL 4968 26.190 48.850 18.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16480 ATOM 16476 HW1 SOL 4968 26.820 49.350 18.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16481 ATOM 16477 HW2 SOL 4968 25.270 48.880 18.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16482 ATOM 16478 OW SOL 4969 21.460 51.530 5.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16483 ATOM 16479 HW1 SOL 4969 21.380 50.770 6.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16484 ATOM 16480 HW2 SOL 4969 22.280 52.060 5.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16485 ATOM 16481 OW SOL 4970 34.340 50.600 12.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16486 ATOM 16482 HW1 SOL 4970 34.380 51.590 12.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16487 ATOM 16483 HW2 SOL 4970 34.200 50.450 13.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16488 ATOM 16484 OW SOL 4971 23.090 40.640 14.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16489 ATOM 16485 HW1 SOL 4971 23.730 40.170 15.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16490 ATOM 16486 HW2 SOL 4971 22.230 40.140 14.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16491 ATOM 16487 OW SOL 4972 34.140 40.030 7.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16492 ATOM 16488 HW1 SOL 4972 33.420 40.120 7.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16493 ATOM 16489 HW2 SOL 4972 33.840 40.460 8.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16494 ATOM 16490 OW SOL 4973 22.690 57.040 4.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16495 ATOM 16491 HW1 SOL 4973 22.950 56.760 5.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16496 ATOM 16492 HW2 SOL 4973 23.320 56.630 3.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16497 ATOM 16493 OW SOL 4974 32.070 51.280 15.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16498 ATOM 16494 HW1 SOL 4974 32.780 50.590 15.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16499 ATOM 16495 HW2 SOL 4974 31.170 50.840 15.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16500 ATOM 16496 OW SOL 4975 23.980 53.700 3.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16501 ATOM 16497 HW1 SOL 4975 24.570 54.480 3.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16502 ATOM 16498 HW2 SOL 4975 24.220 53.340 4.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16503 ATOM 16499 OW SOL 4976 21.910 46.250 7.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16504 ATOM 16500 HW1 SOL 4976 21.730 45.660 8.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16505 ATOM 16501 HW2 SOL 4976 21.070 46.360 7.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16506 ATOM 16502 OW SOL 4977 24.400 54.780 13.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16507 ATOM 16503 HW1 SOL 4977 23.430 54.600 13.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16508 ATOM 16504 HW2 SOL 4977 24.870 54.960 13.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16509 ATOM 16505 OW SOL 4978 25.810 48.180 1.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16510 ATOM 16506 HW1 SOL 4978 25.850 47.340 1.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16511 ATOM 16507 HW2 SOL 4978 26.060 47.960 2.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16512 ATOM 16508 OW SOL 4979 32.650 37.910 13.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16513 ATOM 16509 HW1 SOL 4979 32.560 37.780 14.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16514 ATOM 16510 HW2 SOL 4979 32.860 38.880 13.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16515 ATOM 16511 OW SOL 4980 19.580 42.770 6.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16516 ATOM 16512 HW1 SOL 4980 19.140 41.870 6.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16517 ATOM 16513 HW2 SOL 4980 19.650 43.070 7.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16518 ATOM 16514 OW SOL 4981 39.310 51.270 1.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16519 ATOM 16515 HW1 SOL 4981 38.430 50.820 1.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16520 ATOM 16516 HW2 SOL 4981 39.960 50.980 1.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16521 ATOM 16517 OW SOL 4982 19.320 53.280 1.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16522 ATOM 16518 HW1 SOL 4982 19.590 52.320 1.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16523 ATOM 16519 HW2 SOL 4982 19.710 53.720 2.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16524 ATOM 16520 OW SOL 4983 35.590 45.780 6.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16525 ATOM 16521 HW1 SOL 4983 35.970 44.900 5.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16526 ATOM 16522 HW2 SOL 4983 36.340 46.390 6.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16527 ATOM 16523 OW SOL 4984 35.430 47.010 2.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16528 ATOM 16524 HW1 SOL 4984 35.750 46.070 2.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16529 ATOM 16525 HW2 SOL 4984 35.980 47.630 3.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16530 ATOM 16526 OW SOL 4985 20.040 43.800 15.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16531 ATOM 16527 HW1 SOL 4985 20.860 44.130 14.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16532 ATOM 16528 HW2 SOL 4985 19.850 44.400 16.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16533 ATOM 16529 OW SOL 4986 25.070 49.980 5.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16534 ATOM 16530 HW1 SOL 4986 24.490 49.200 5.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16535 ATOM 16531 HW2 SOL 4986 24.970 50.170 4.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16536 ATOM 16532 OW SOL 4987 33.680 49.170 15.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16537 ATOM 16533 HW1 SOL 4987 33.810 48.540 15.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16538 ATOM 16534 HW2 SOL 4987 33.060 48.760 16.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16539 ATOM 16535 OW SOL 4988 27.510 37.560 3.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16540 ATOM 16536 HW1 SOL 4988 28.400 38.000 3.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16541 ATOM 16537 HW2 SOL 4988 26.820 38.030 4.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16542 ATOM 16538 OW SOL 4989 20.160 46.660 13.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16543 ATOM 16539 HW1 SOL 4989 20.730 45.830 13.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16544 ATOM 16540 HW2 SOL 4989 20.400 47.200 12.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16545 ATOM 16541 OW SOL 4990 35.730 47.410 72.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16546 ATOM 16542 HW1 SOL 4990 34.940 47.440 71.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16547 ATOM 16543 HW2 SOL 4990 35.400 47.290 73.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16548 ATOM 16544 OW SOL 4991 30.660 53.700 15.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16549 ATOM 16545 HW1 SOL 4991 30.950 54.550 14.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16550 ATOM 16546 HW2 SOL 4991 31.350 52.990 15.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16551 ATOM 16547 OW SOL 4992 23.670 39.190 19.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16552 ATOM 16548 HW1 SOL 4992 23.860 40.170 19.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16553 ATOM 16549 HW2 SOL 4992 22.740 39.030 19.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16554 ATOM 16550 OW SOL 4993 34.390 49.600 8.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16555 ATOM 16551 HW1 SOL 4993 33.570 49.820 9.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16556 ATOM 16552 HW2 SOL 4993 34.170 48.930 8.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16557 ATOM 16553 OW SOL 4994 36.040 54.060 3.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16558 ATOM 16554 HW1 SOL 4994 36.250 54.130 4.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16559 ATOM 16555 HW2 SOL 4994 36.900 53.980 3.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16560 ATOM 16556 OW SOL 4995 22.420 44.510 3.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16561 ATOM 16557 HW1 SOL 4995 21.490 44.160 3.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16562 ATOM 16558 HW2 SOL 4995 23.040 44.110 4.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16563 ATOM 16559 OW SOL 4996 33.070 40.540 10.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16564 ATOM 16560 HW1 SOL 4996 32.400 39.830 9.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16565 ATOM 16561 HW2 SOL 4996 33.390 40.470 11.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16566 ATOM 16562 OW SOL 4997 35.770 51.570 72.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16567 ATOM 16563 HW1 SOL 4997 36.030 51.180 73.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16568 ATOM 16564 HW2 SOL 4997 36.080 52.520 72.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16569 ATOM 16565 OW SOL 4998 26.270 43.130 12.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16570 ATOM 16566 HW1 SOL 4998 26.740 42.260 13.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16571 ATOM 16567 HW2 SOL 4998 26.200 43.320 11.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16572 ATOM 16568 OW SOL 4999 31.910 41.700 16.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16573 ATOM 16569 HW1 SOL 4999 31.130 42.320 16.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16574 ATOM 16570 HW2 SOL 4999 31.570 40.760 16.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16575 ATOM 16571 OW SOL 5000 29.480 47.290 16.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16576 ATOM 16572 HW1 SOL 5000 29.520 46.860 15.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16577 ATOM 16573 HW2 SOL 5000 29.300 48.270 16.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16578 ATOM 16574 OW SOL 5001 30.200 41.760 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16579 ATOM 16575 HW1 SOL 5001 29.400 41.310 10.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16580 ATOM 16576 HW2 SOL 5001 30.750 41.080 11.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16581 ATOM 16577 OW SOL 5002 25.910 44.990 5.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16582 ATOM 16578 HW1 SOL 5002 26.630 44.730 5.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16583 ATOM 16579 HW2 SOL 5002 25.030 44.660 5.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16584 ATOM 16580 OW SOL 5003 19.780 44.470 9.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16585 ATOM 16581 HW1 SOL 5003 20.750 44.200 9.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16586 ATOM 16582 HW2 SOL 5003 19.570 44.980 10.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16587 ATOM 16583 OW SOL 5004 19.170 53.480 15.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16588 ATOM 16584 HW1 SOL 5004 19.180 53.390 16.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16589 ATOM 16585 HW2 SOL 5004 18.960 54.430 14.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16590 ATOM 16586 OW SOL 5005 26.860 40.040 0.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16591 ATOM 16587 HW1 SOL 5005 27.560 40.720 0.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16592 ATOM 16588 HW2 SOL 5005 27.260 39.130 0.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16593 ATOM 16589 OW SOL 5006 36.270 42.510 18.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16594 ATOM 16590 HW1 SOL 5006 35.840 43.330 18.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16595 ATOM 16591 HW2 SOL 5006 36.240 41.770 17.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16596 ATOM 16592 OW SOL 5007 33.230 47.850 3.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16597 ATOM 16593 HW1 SOL 5007 34.090 47.500 3.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16598 ATOM 16594 HW2 SOL 5007 32.860 48.540 3.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16599 ATOM 16595 OW SOL 5008 25.030 37.810 9.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16600 ATOM 16596 HW1 SOL 5008 25.650 38.020 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16601 ATOM 16597 HW2 SOL 5008 24.770 38.660 9.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16602 ATOM 16598 OW SOL 5009 32.070 50.990 6.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16603 ATOM 16599 HW1 SOL 5009 32.100 50.020 5.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16604 ATOM 16600 HW2 SOL 5009 32.010 51.070 7.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16605 ATOM 16601 OW SOL 5010 22.370 55.430 8.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16606 ATOM 16602 HW1 SOL 5010 22.640 54.470 8.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16607 ATOM 16603 HW2 SOL 5010 22.410 55.690 9.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16608 ATOM 16604 OW SOL 5011 37.710 46.360 9.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16609 ATOM 16605 HW1 SOL 5011 36.720 46.210 9.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16610 ATOM 16606 HW2 SOL 5011 38.180 45.540 10.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16611 ATOM 16607 OW SOL 5012 30.020 50.070 12.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16612 ATOM 16608 HW1 SOL 5012 30.250 49.220 12.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16613 ATOM 16609 HW2 SOL 5012 29.150 50.410 12.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16614 ATOM 16610 OW SOL 5013 23.060 46.610 1.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16615 ATOM 16611 HW1 SOL 5013 22.760 45.940 2.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16616 ATOM 16612 HW2 SOL 5013 23.620 46.150 1.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16617 ATOM 16613 OW SOL 5014 33.130 44.360 5.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16618 ATOM 16614 HW1 SOL 5014 32.800 44.060 6.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16619 ATOM 16615 HW2 SOL 5014 34.070 44.710 6.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16620 ATOM 16616 OW SOL 5015 24.190 49.230 16.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16621 ATOM 16617 HW1 SOL 5015 24.550 49.390 15.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16622 ATOM 16618 HW2 SOL 5015 23.270 49.600 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16623 ATOM 16619 OW SOL 5016 31.100 53.590 1.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16624 ATOM 16620 HW1 SOL 5016 30.280 53.160 1.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16625 ATOM 16621 HW2 SOL 5016 31.620 52.920 2.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16626 ATOM 16622 OW SOL 5017 20.960 39.050 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16627 ATOM 16623 HW1 SOL 5017 20.240 39.670 15.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16628 ATOM 16624 HW2 SOL 5017 20.600 38.130 14.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16629 ATOM 16625 OW SOL 5018 33.210 50.980 71.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16630 ATOM 16626 HW1 SOL 5018 32.300 51.020 71.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16631 ATOM 16627 HW2 SOL 5018 33.900 51.210 71.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16632 ATOM 16628 OW SOL 5019 24.470 56.140 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16633 ATOM 16629 HW1 SOL 5019 25.220 56.420 2.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16634 ATOM 16630 HW2 SOL 5019 24.840 55.820 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16635 ATOM 16631 OW SOL 5020 34.150 37.660 2.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16636 ATOM 16632 HW1 SOL 5020 33.650 37.620 1.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16637 ATOM 16633 HW2 SOL 5020 34.590 36.780 3.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16638 ATOM 16634 OW SOL 5021 19.330 54.440 10.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16639 ATOM 16635 HW1 SOL 5021 19.360 53.490 10.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16640 ATOM 16636 HW2 SOL 5021 19.700 55.040 9.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16641 ATOM 16637 OW SOL 5022 29.700 53.350 8.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16642 ATOM 16638 HW1 SOL 5022 30.570 52.850 8.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16643 ATOM 16639 HW2 SOL 5022 28.970 52.730 8.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16644 ATOM 16640 OW SOL 5023 22.300 42.080 5.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16645 ATOM 16641 HW1 SOL 5023 22.630 41.180 4.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16646 ATOM 16642 HW2 SOL 5023 21.440 41.980 5.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16647 ATOM 16643 OW SOL 5024 29.820 39.070 17.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16648 ATOM 16644 HW1 SOL 5024 29.980 38.780 18.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16649 ATOM 16645 HW2 SOL 5024 28.980 39.600 17.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16650 ATOM 16646 OW SOL 5025 24.360 38.450 72.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16651 ATOM 16647 HW1 SOL 5025 23.740 39.020 72.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16652 ATOM 16648 HW2 SOL 5025 25.290 38.530 72.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16653 ATOM 16649 OW SOL 5026 25.400 36.760 16.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16654 ATOM 16650 HW1 SOL 5026 25.050 37.680 16.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16655 ATOM 16651 HW2 SOL 5026 24.650 36.110 16.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16656 ATOM 16652 OW SOL 5027 26.850 51.170 10.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16657 ATOM 16653 HW1 SOL 5027 27.620 50.860 10.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16658 ATOM 16654 HW2 SOL 5027 27.190 51.610 11.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16659 ATOM 16655 OW SOL 5028 33.910 42.560 14.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16660 ATOM 16656 HW1 SOL 5028 33.700 41.860 15.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16661 ATOM 16657 HW2 SOL 5028 33.750 43.470 15.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16662 ATOM 16658 OW SOL 5029 28.510 50.030 9.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16663 ATOM 16659 HW1 SOL 5029 29.360 49.530 8.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16664 ATOM 16660 HW2 SOL 5029 28.280 50.610 8.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16665 ATOM 16661 OW SOL 5030 29.460 40.440 6.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16666 ATOM 16662 HW1 SOL 5030 28.640 40.550 6.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16667 ATOM 16663 HW2 SOL 5030 29.200 40.090 7.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16668 ATOM 16664 OW SOL 5031 25.170 39.980 4.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16669 ATOM 16665 HW1 SOL 5031 24.310 39.930 5.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16670 ATOM 16666 HW2 SOL 5031 24.990 40.290 3.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16671 ATOM 16667 OW SOL 5032 32.620 47.530 72.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16672 ATOM 16668 HW1 SOL 5032 32.150 47.750 71.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16673 ATOM 16669 HW2 SOL 5032 32.740 48.360 72.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16674 ATOM 16670 OW SOL 5033 23.210 37.570 2.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16675 ATOM 16671 HW1 SOL 5033 22.950 38.520 2.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16676 ATOM 16672 HW2 SOL 5033 24.090 37.370 1.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16677 ATOM 16673 OW SOL 5034 29.830 38.820 3.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16678 ATOM 16674 HW1 SOL 5034 29.730 39.740 4.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16679 ATOM 16675 HW2 SOL 5034 30.650 38.390 4.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16680 ATOM 16676 OW SOL 5035 29.490 45.610 14.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16681 ATOM 16677 HW1 SOL 5035 28.800 45.600 13.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16682 ATOM 16678 HW2 SOL 5035 30.070 44.800 14.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16683 ATOM 16679 OW SOL 5036 31.900 51.860 8.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16684 ATOM 16680 HW1 SOL 5036 32.360 52.710 9.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16685 ATOM 16681 HW2 SOL 5036 31.900 51.220 9.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16686 ATOM 16682 OW SOL 5037 23.990 47.550 6.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16687 ATOM 16683 HW1 SOL 5037 23.380 46.980 7.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16688 ATOM 16684 HW2 SOL 5037 23.630 47.630 5.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16689 ATOM 16685 OW SOL 5038 33.650 53.240 6.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16690 ATOM 16686 HW1 SOL 5038 33.350 54.020 5.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16691 ATOM 16687 HW2 SOL 5038 33.130 52.430 6.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16692 ATOM 16688 OW SOL 5039 26.900 43.490 0.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16693 ATOM 16689 HW1 SOL 5039 26.600 44.070 0.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16694 ATOM 16690 HW2 SOL 5039 27.820 43.150 0.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16695 ATOM 16691 OW SOL 5040 19.310 42.240 12.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16696 ATOM 16692 HW1 SOL 5040 20.300 42.260 13.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16697 ATOM 16693 HW2 SOL 5040 18.900 42.550 13.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16698 ATOM 16694 OW SOL 5041 25.920 40.000 11.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16699 ATOM 16695 HW1 SOL 5041 26.520 40.180 12.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16700 ATOM 16696 HW2 SOL 5041 24.970 39.970 11.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16701 ATOM 16697 OW SOL 5042 27.390 41.150 5.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16702 ATOM 16698 HW1 SOL 5042 26.550 40.840 4.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16703 ATOM 16699 HW2 SOL 5042 27.410 42.150 5.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16704 ATOM 16700 OW SOL 5043 32.470 36.190 8.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16705 ATOM 16701 HW1 SOL 5043 32.570 35.390 9.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16706 ATOM 16702 HW2 SOL 5043 32.610 35.910 7.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16707 ATOM 16703 OW SOL 5044 33.200 47.620 6.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16708 ATOM 16704 HW1 SOL 5044 32.970 46.720 7.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16709 ATOM 16705 HW2 SOL 5044 33.260 47.550 5.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16710 ATOM 16706 OW SOL 5045 33.520 43.060 9.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16711 ATOM 16707 HW1 SOL 5045 32.950 42.270 9.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16712 ATOM 16708 HW2 SOL 5045 34.340 43.060 9.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16713 ATOM 16709 OW SOL 5046 36.910 43.670 5.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16714 ATOM 16710 HW1 SOL 5046 37.790 43.650 5.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16715 ATOM 16711 HW2 SOL 5046 36.490 42.760 5.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16716 ATOM 16712 OW SOL 5047 25.390 51.310 2.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16717 ATOM 16713 HW1 SOL 5047 24.610 51.930 2.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16718 ATOM 16714 HW2 SOL 5047 25.250 50.500 2.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16719 ATOM 16715 OW SOL 5048 36.200 48.980 4.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16720 ATOM 16716 HW1 SOL 5048 36.910 48.510 4.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16721 ATOM 16717 HW2 SOL 5048 35.950 49.830 4.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16722 ATOM 16718 OW SOL 5049 29.020 41.710 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16723 ATOM 16719 HW1 SOL 5049 29.070 41.950 1.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16724 ATOM 16720 HW2 SOL 5049 29.910 41.380 0.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16725 ATOM 16721 OW SOL 5050 25.080 40.910 1.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16726 ATOM 16722 HW1 SOL 5050 25.870 40.580 1.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16727 ATOM 16723 HW2 SOL 5050 24.610 41.620 1.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16728 ATOM 16724 OW SOL 5051 37.250 49.150 16.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16729 ATOM 16725 HW1 SOL 5051 36.630 49.340 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16730 ATOM 16726 HW2 SOL 5051 37.880 49.920 16.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16731 ATOM 16727 OW SOL 5052 27.980 47.710 11.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16732 ATOM 16728 HW1 SOL 5052 27.190 47.870 11.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16733 ATOM 16729 HW2 SOL 5052 27.710 47.770 12.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16734 ATOM 16730 OW SOL 5053 35.940 52.710 15.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16735 ATOM 16731 HW1 SOL 5053 36.300 52.960 14.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16736 ATOM 16732 HW2 SOL 5053 36.340 51.840 16.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16737 ATOM 16733 OW SOL 5054 30.590 47.950 10.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16738 ATOM 16734 HW1 SOL 5054 29.630 47.840 11.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16739 ATOM 16735 HW2 SOL 5054 30.660 48.430 10.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16740 ATOM 16736 OW SOL 5055 34.900 47.020 9.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16741 ATOM 16737 HW1 SOL 5055 34.590 46.470 8.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16742 ATOM 16738 HW2 SOL 5055 34.900 47.990 9.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16743 ATOM 16739 OW SOL 5056 27.450 37.500 11.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16744 ATOM 16740 HW1 SOL 5056 27.790 37.030 10.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16745 ATOM 16741 HW2 SOL 5056 28.200 37.960 12.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16746 ATOM 16742 OW SOL 5057 29.430 45.740 18.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16747 ATOM 16743 HW1 SOL 5057 29.640 44.910 18.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16748 ATOM 16744 HW2 SOL 5057 29.500 46.530 18.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16749 ATOM 16745 OW SOL 5058 26.310 47.630 4.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16750 ATOM 16746 HW1 SOL 5058 26.210 47.890 5.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16751 ATOM 16747 HW2 SOL 5058 26.310 46.630 4.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16752 ATOM 16748 OW SOL 5059 22.150 44.750 13.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16753 ATOM 16749 HW1 SOL 5059 23.080 45.070 13.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16754 ATOM 16750 HW2 SOL 5059 22.180 43.790 13.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16755 ATOM 16751 OW SOL 5060 32.220 41.220 12.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16756 ATOM 16752 HW1 SOL 5060 33.190 41.430 12.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16757 ATOM 16753 HW2 SOL 5060 31.760 42.050 12.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16758 ATOM 16754 OW SOL 5061 20.090 51.170 9.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16759 ATOM 16755 HW1 SOL 5061 19.210 51.460 9.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16760 ATOM 16756 HW2 SOL 5061 20.830 51.640 9.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16761 ATOM 16757 OW SOL 5062 23.130 48.010 4.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16762 ATOM 16758 HW1 SOL 5062 23.080 48.900 3.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16763 ATOM 16759 HW2 SOL 5062 23.420 47.320 3.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16764 ATOM 16760 OW SOL 5063 24.400 40.120 8.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16765 ATOM 16761 HW1 SOL 5063 24.400 39.610 7.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16766 ATOM 16762 HW2 SOL 5063 25.040 40.890 8.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16767 ATOM 16763 OW SOL 5064 32.030 51.080 3.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16768 ATOM 16764 HW1 SOL 5064 32.960 51.360 3.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16769 ATOM 16765 HW2 SOL 5064 31.870 51.290 4.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16770 ATOM 16766 OW SOL 5065 32.600 50.090 10.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16771 ATOM 16767 HW1 SOL 5065 33.320 50.110 11.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16772 ATOM 16768 HW2 SOL 5065 31.730 49.860 11.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16773 ATOM 16769 OW SOL 5066 32.170 42.530 4.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16774 ATOM 16770 HW1 SOL 5066 32.580 43.140 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16775 ATOM 16771 HW2 SOL 5066 32.420 42.840 3.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16776 ATOM 16772 OW SOL 5067 22.700 52.240 8.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16777 ATOM 16773 HW1 SOL 5067 22.960 52.050 7.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16778 ATOM 16774 HW2 SOL 5067 23.380 51.850 9.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16779 ATOM 16775 OW SOL 5068 23.270 42.500 16.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16780 ATOM 16776 HW1 SOL 5068 23.200 41.630 16.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16781 ATOM 16777 HW2 SOL 5068 23.970 43.080 16.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16782 ATOM 16778 OW SOL 5069 35.430 44.830 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16783 ATOM 16779 HW1 SOL 5069 34.510 44.990 16.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16784 ATOM 16780 HW2 SOL 5069 36.100 45.360 16.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16785 ATOM 16781 OW SOL 5070 23.270 35.180 16.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16786 ATOM 16782 HW1 SOL 5070 22.590 35.080 15.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16787 ATOM 16783 HW2 SOL 5070 22.830 35.090 17.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16788 ATOM 16784 OW SOL 5071 23.910 45.820 10.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16789 ATOM 16785 HW1 SOL 5071 23.610 46.750 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16790 ATOM 16786 HW2 SOL 5071 24.360 45.810 11.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16791 ATOM 16787 OW SOL 5072 32.210 45.520 8.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16792 ATOM 16788 HW1 SOL 5072 31.410 45.510 9.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16793 ATOM 16789 HW2 SOL 5072 32.800 44.740 8.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16794 ATOM 16790 OW SOL 5073 29.440 42.490 3.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16795 ATOM 16791 HW1 SOL 5073 30.270 42.190 3.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16796 ATOM 16792 HW2 SOL 5073 29.420 43.490 3.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16797 ATOM 16793 OW SOL 5074 22.790 38.720 12.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16798 ATOM 16794 HW1 SOL 5074 22.300 39.080 12.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16799 ATOM 16795 HW2 SOL 5074 23.260 37.870 12.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16800 ATOM 16796 OW SOL 5075 20.590 50.210 12.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16801 ATOM 16797 HW1 SOL 5075 19.760 50.050 12.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16802 ATOM 16798 HW2 SOL 5075 20.350 50.680 11.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16803 ATOM 16799 OW SOL 5076 26.130 42.340 8.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16804 ATOM 16800 HW1 SOL 5076 26.660 42.810 7.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16805 ATOM 16801 HW2 SOL 5076 26.060 42.920 9.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16806 ATOM 16802 OW SOL 5077 35.160 47.270 18.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16807 ATOM 16803 HW1 SOL 5077 35.320 46.510 18.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16808 ATOM 16804 HW2 SOL 5077 34.340 47.100 19.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16809 ATOM 16805 OW SOL 5078 20.660 36.850 7.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16810 ATOM 16806 HW1 SOL 5078 20.470 37.650 6.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16811 ATOM 16807 HW2 SOL 5078 21.520 37.000 7.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16812 ATOM 16808 OW SOL 5079 33.160 40.260 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16813 ATOM 16809 HW1 SOL 5079 32.600 39.630 2.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16814 ATOM 16810 HW2 SOL 5079 33.760 40.780 2.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16815 ATOM 16811 OW SOL 5080 30.250 42.710 7.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16816 ATOM 16812 HW1 SOL 5080 30.350 42.380 8.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16817 ATOM 16813 HW2 SOL 5080 29.990 41.950 7.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16818 ATOM 16814 OW SOL 5081 29.000 49.750 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16819 ATOM 16815 HW1 SOL 5081 29.400 50.160 14.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16820 ATOM 16816 HW2 SOL 5081 28.470 50.430 16.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16821 ATOM 16817 OW SOL 5082 38.770 51.400 15.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16822 ATOM 16818 HW1 SOL 5082 39.030 51.690 14.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16823 ATOM 16819 HW2 SOL 5082 39.420 51.780 16.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16824 ATOM 16820 OW SOL 5083 24.280 46.570 17.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16825 ATOM 16821 HW1 SOL 5083 24.510 47.500 16.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16826 ATOM 16822 HW2 SOL 5083 24.640 45.910 16.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16827 ATOM 16823 OW SOL 5084 31.290 40.540 72.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16828 ATOM 16824 HW1 SOL 5084 31.420 39.660 71.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16829 ATOM 16825 HW2 SOL 5084 31.900 40.600 73.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16830 ATOM 16826 OW SOL 5085 33.340 41.230 69.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16831 ATOM 16827 HW1 SOL 5085 34.260 41.240 69.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16832 ATOM 16828 HW2 SOL 5085 32.660 41.300 69.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16833 ATOM 16829 OW SOL 5086 30.810 48.450 8.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16834 ATOM 16830 HW1 SOL 5086 30.190 48.090 7.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16835 ATOM 16831 HW2 SOL 5086 31.750 48.420 7.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16836 ATOM 16832 OW SOL 5087 22.350 43.940 9.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16837 ATOM 16833 HW1 SOL 5087 22.790 44.560 10.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16838 ATOM 16834 HW2 SOL 5087 22.620 43.000 9.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16839 ATOM 16835 OW SOL 5088 22.770 41.270 10.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16840 ATOM 16836 HW1 SOL 5088 22.520 40.440 10.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16841 ATOM 16837 HW2 SOL 5088 23.290 41.030 9.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16842 ATOM 16838 OW SOL 5089 28.840 37.900 14.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16843 ATOM 16839 HW1 SOL 5089 28.760 38.700 15.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16844 ATOM 16840 HW2 SOL 5089 28.680 37.070 15.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16845 ATOM 16841 OW SOL 5090 29.730 38.710 12.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16846 ATOM 16842 HW1 SOL 5090 29.410 38.310 13.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16847 ATOM 16843 HW2 SOL 5090 30.690 38.490 12.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16848 ATOM 16844 OW SOL 5091 19.530 50.550 2.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16849 ATOM 16845 HW1 SOL 5091 19.010 50.640 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16850 ATOM 16846 HW2 SOL 5091 19.560 49.580 2.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16851 ATOM 16847 OW SOL 5092 19.780 55.930 8.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16852 ATOM 16848 HW1 SOL 5092 19.460 55.390 7.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16853 ATOM 16849 HW2 SOL 5092 20.780 56.030 8.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16854 ATOM 16850 OW SOL 5093 24.220 52.460 6.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16855 ATOM 16851 HW1 SOL 5093 24.710 52.880 7.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16856 ATOM 16852 HW2 SOL 5093 24.800 51.750 6.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16857 ATOM 16853 OW SOL 5094 30.630 44.520 10.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16858 ATOM 16854 HW1 SOL 5094 31.320 44.910 11.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16859 ATOM 16855 HW2 SOL 5094 30.740 43.520 10.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16860 ATOM 16856 OW SOL 5095 17.920 42.770 10.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16861 ATOM 16857 HW1 SOL 5095 18.560 43.420 10.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16862 ATOM 16858 HW2 SOL 5095 18.370 42.320 11.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16863 ATOM 16859 OW SOL 5096 18.700 41.620 15.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16864 ATOM 16860 HW1 SOL 5096 17.930 41.940 16.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16865 ATOM 16861 HW2 SOL 5096 19.360 42.360 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16866 ATOM 16862 OW SOL 5097 33.290 45.280 15.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16867 ATOM 16863 HW1 SOL 5097 32.630 45.930 15.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16868 ATOM 16864 HW2 SOL 5097 33.390 45.440 14.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16869 ATOM 16865 OW SOL 5098 23.670 43.960 6.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16870 ATOM 16866 HW1 SOL 5098 23.180 43.210 6.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16871 ATOM 16867 HW2 SOL 5098 23.220 44.170 7.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16872 ATOM 16868 OW SOL 5099 37.640 44.400 11.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16873 ATOM 16869 HW1 SOL 5099 38.220 43.920 12.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16874 ATOM 16870 HW2 SOL 5099 36.990 43.760 11.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16875 ATOM 16871 OW SOL 5100 22.640 51.910 15.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16876 ATOM 16872 HW1 SOL 5100 23.010 52.760 15.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16877 ATOM 16873 HW2 SOL 5100 22.130 51.420 16.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16878 ATOM 16874 OW SOL 5101 27.880 40.200 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16879 ATOM 16875 HW1 SOL 5101 27.310 39.730 9.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16880 ATOM 16876 HW2 SOL 5101 27.410 41.030 8.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16881 ATOM 16877 OW SOL 5102 27.850 52.210 12.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16882 ATOM 16878 HW1 SOL 5102 27.070 52.320 13.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16883 ATOM 16879 HW2 SOL 5102 28.320 53.090 12.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16884 ATOM 16880 OW SOL 5103 23.330 42.740 0.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16885 ATOM 16881 HW1 SOL 5103 22.970 43.430 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16886 ATOM 16882 HW2 SOL 5103 23.010 42.930 0.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16887 ATOM 16883 OW SOL 5104 20.170 48.280 15.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16888 ATOM 16884 HW1 SOL 5104 19.930 47.690 16.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16889 ATOM 16885 HW2 SOL 5104 20.400 47.710 14.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16890 ATOM 16886 OW SOL 5105 32.430 46.200 11.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16891 ATOM 16887 HW1 SOL 5105 33.160 46.310 11.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16892 ATOM 16888 HW2 SOL 5105 31.620 46.710 11.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16893 ATOM 16889 OW SOL 5106 32.870 43.030 1.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16894 ATOM 16890 HW1 SOL 5106 32.360 43.860 1.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16895 ATOM 16891 HW2 SOL 5106 33.650 42.940 0.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16896 ATOM 16892 OW SOL 5107 35.410 52.010 9.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16897 ATOM 16893 HW1 SOL 5107 35.000 51.160 9.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16898 ATOM 16894 HW2 SOL 5107 36.400 51.990 9.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16899 ATOM 16895 OW SOL 5108 34.110 53.220 12.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16900 ATOM 16896 HW1 SOL 5108 34.070 53.520 11.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16901 ATOM 16897 HW2 SOL 5108 33.190 53.240 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16902 ATOM 16898 OW SOL 5109 20.790 47.700 10.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16903 ATOM 16899 HW1 SOL 5109 20.520 48.560 11.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16904 ATOM 16900 HW2 SOL 5109 20.290 47.570 10.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16905 ATOM 16901 OW SOL 5110 28.080 53.980 15.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16906 ATOM 16902 HW1 SOL 5110 27.960 54.820 15.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16907 ATOM 16903 HW2 SOL 5110 29.050 53.730 15.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16908 ATOM 16904 OW SOL 5111 28.390 36.930 71.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16909 ATOM 16905 HW1 SOL 5111 27.590 37.390 70.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16910 ATOM 16906 HW2 SOL 5111 28.220 36.710 72.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16911 ATOM 16907 OW SOL 5112 35.590 40.070 3.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16912 ATOM 16908 HW1 SOL 5112 36.030 40.440 2.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16913 ATOM 16909 HW2 SOL 5112 35.160 39.190 3.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16914 ATOM 16910 OW SOL 5113 33.990 52.880 2.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16915 ATOM 16911 HW1 SOL 5113 33.210 53.380 1.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16916 ATOM 16912 HW2 SOL 5113 34.710 53.520 2.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16917 ATOM 16913 OW SOL 5114 21.720 54.230 18.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16918 ATOM 16914 HW1 SOL 5114 20.740 54.040 18.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16919 ATOM 16915 HW2 SOL 5114 21.960 54.830 18.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16920 ATOM 16916 OW SOL 5115 31.220 45.950 4.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16921 ATOM 16917 HW1 SOL 5115 31.660 45.240 5.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16922 ATOM 16918 HW2 SOL 5115 31.870 46.690 4.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16923 ATOM 16919 OW SOL 5116 25.540 49.920 14.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16924 ATOM 16920 HW1 SOL 5116 25.910 50.800 14.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16925 ATOM 16921 HW2 SOL 5116 24.660 50.060 13.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16926 ATOM 16922 OW SOL 5117 28.700 51.930 0.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16927 ATOM 16923 HW1 SOL 5117 27.810 52.040 0.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16928 ATOM 16924 HW2 SOL 5117 28.610 51.360 1.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16929 ATOM 16925 OW SOL 5118 36.740 53.590 13.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16930 ATOM 16926 HW1 SOL 5118 37.220 54.260 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16931 ATOM 16927 HW2 SOL 5118 35.840 53.410 12.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16932 ATOM 16928 OW SOL 5119 37.230 37.650 9.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16933 ATOM 16929 HW1 SOL 5119 37.580 36.710 10.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16934 ATOM 16930 HW2 SOL 5119 36.480 37.660 9.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16935 ATOM 16931 OW SOL 5120 20.810 39.650 7.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16936 ATOM 16932 HW1 SOL 5120 20.030 40.170 7.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16937 ATOM 16933 HW2 SOL 5120 20.670 39.450 8.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16938 ATOM 16934 OW SOL 5121 30.620 51.910 71.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16939 ATOM 16935 HW1 SOL 5121 30.030 51.880 70.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16940 ATOM 16936 HW2 SOL 5121 30.050 51.810 71.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16941 ATOM 16937 OW SOL 5122 27.010 47.590 14.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16942 ATOM 16938 HW1 SOL 5122 26.560 48.480 14.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16943 ATOM 16939 HW2 SOL 5122 27.490 47.460 15.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16944 ATOM 16940 OW SOL 5123 29.560 45.540 2.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16945 ATOM 16941 HW1 SOL 5123 30.070 45.330 1.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16946 ATOM 16942 HW2 SOL 5123 30.200 45.700 3.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16947 ATOM 16943 OW SOL 5124 32.180 54.170 71.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16948 ATOM 16944 HW1 SOL 5124 31.650 53.340 71.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16949 ATOM 16945 HW2 SOL 5124 32.930 53.970 70.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16950 ATOM 16946 OW SOL 5125 23.230 51.060 13.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16951 ATOM 16947 HW1 SOL 5125 22.370 50.700 12.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16952 ATOM 16948 HW2 SOL 5125 23.040 51.530 13.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16953 ATOM 16949 OW SOL 5126 36.540 49.160 11.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16954 ATOM 16950 HW1 SOL 5126 37.100 49.890 12.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16955 ATOM 16951 HW2 SOL 5126 35.600 49.250 12.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16956 ATOM 16952 OW SOL 5127 29.230 47.530 6.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16957 ATOM 16953 HW1 SOL 5127 28.290 47.240 6.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16958 ATOM 16954 HW2 SOL 5127 29.800 46.740 5.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16959 ATOM 16955 OW SOL 5128 31.380 38.520 9.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16960 ATOM 16956 HW1 SOL 5128 31.990 37.750 9.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16961 ATOM 16957 HW2 SOL 5128 30.440 38.190 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16962 ATOM 16958 OW SOL 5129 27.550 51.770 4.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16963 ATOM 16959 HW1 SOL 5129 28.050 50.920 4.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16964 ATOM 16960 HW2 SOL 5129 26.800 51.860 3.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16965 ATOM 16961 OW SOL 5130 37.730 40.260 14.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16966 ATOM 16962 HW1 SOL 5130 37.940 41.170 14.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16967 ATOM 16963 HW2 SOL 5130 37.840 39.580 14.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16968 ATOM 16964 OW SOL 5131 22.800 50.470 3.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16969 ATOM 16965 HW1 SOL 5131 22.310 50.950 3.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16970 ATOM 16966 HW2 SOL 5131 22.760 50.990 2.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16971 ATOM 16967 OW SOL 5132 19.550 46.230 17.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16972 ATOM 16968 HW1 SOL 5132 18.800 46.150 17.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16973 ATOM 16969 HW2 SOL 5132 20.420 46.060 17.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16974 ATOM 16970 OW SOL 5133 26.550 35.950 13.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16975 ATOM 16971 HW1 SOL 5133 26.890 36.660 13.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16976 ATOM 16972 HW2 SOL 5133 26.250 36.370 14.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16977 ATOM 16973 OW SOL 5134 16.390 41.910 70.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16978 ATOM 16974 HW1 SOL 5134 16.550 41.660 71.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16979 ATOM 16975 HW2 SOL 5134 16.180 42.890 70.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16980 ATOM 16976 OW SOL 5135 34.000 47.680 13.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16981 ATOM 16977 HW1 SOL 5135 33.450 47.120 13.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16982 ATOM 16978 HW2 SOL 5135 34.970 47.450 13.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16983 ATOM 16979 OW SOL 5136 20.960 37.210 3.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16984 ATOM 16980 HW1 SOL 5136 20.370 37.510 2.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16985 ATOM 16981 HW2 SOL 5136 21.920 37.230 3.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16986 ATOM 16982 OW SOL 5137 31.580 49.740 0.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16987 ATOM 16983 HW1 SOL 5137 30.660 49.400 0.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16988 ATOM 16984 HW2 SOL 5137 31.600 50.170 1.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16989 ATOM 16985 OW SOL 5138 24.910 45.470 13.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16990 ATOM 16986 HW1 SOL 5138 25.580 46.100 13.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16991 ATOM 16987 HW2 SOL 5138 25.290 44.550 13.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16992 ATOM 16988 OW SOL 5139 33.370 53.830 9.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16993 ATOM 16989 HW1 SOL 5139 33.510 54.620 9.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16994 ATOM 16990 HW2 SOL 5139 34.170 53.230 9.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16995 ATOM 16991 OW SOL 5140 28.110 40.990 13.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16996 ATOM 16992 HW1 SOL 5140 28.260 40.830 14.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16997 ATOM 16993 HW2 SOL 5140 28.790 40.470 12.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16998 ATOM 16994 OW SOL 5141 31.960 48.180 17.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
16999 ATOM 16995 HW1 SOL 5141 31.160 47.810 17.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17000 ATOM 16996 HW2 SOL 5141 32.070 47.750 18.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17001 ATOM 16997 OW SOL 5142 21.700 54.610 13.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17002 ATOM 16998 HW1 SOL 5142 20.980 55.000 13.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17003 ATOM 16999 HW2 SOL 5142 21.320 53.900 14.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17004 ATOM 17000 OW SOL 5143 36.590 46.610 13.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17005 ATOM 17001 HW1 SOL 5143 37.080 45.820 12.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17006 ATOM 17002 HW2 SOL 5143 36.610 47.350 12.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17007 ATOM 17003 OW SOL 5144 32.180 37.890 4.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17008 ATOM 17004 HW1 SOL 5144 32.920 37.750 3.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17009 ATOM 17005 HW2 SOL 5144 32.450 38.590 5.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17010 ATOM 17006 OW SOL 5145 25.930 44.160 10.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17011 ATOM 17007 HW1 SOL 5145 26.800 44.560 10.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17012 ATOM 17008 HW2 SOL 5145 25.180 44.770 10.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17013 ATOM 17009 OW SOL 5146 35.500 40.400 16.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17014 ATOM 17010 HW1 SOL 5146 36.190 40.220 16.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17015 ATOM 17011 HW2 SOL 5146 35.420 39.610 17.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17016 ATOM 17012 OW SOL 5147 37.300 46.260 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17017 ATOM 17013 HW1 SOL 5147 37.420 47.190 16.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17018 ATOM 17014 HW2 SOL 5147 37.250 46.260 14.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17019 ATOM 17015 OW SOL 5148 28.970 48.400 1.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17020 ATOM 17016 HW1 SOL 5148 28.380 48.610 1.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17021 ATOM 17017 HW2 SOL 5148 29.430 47.530 1.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17022 ATOM 17018 OW SOL 5149 25.880 53.040 8.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17023 ATOM 17019 HW1 SOL 5149 26.070 54.020 8.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17024 ATOM 17020 HW2 SOL 5149 25.720 52.680 9.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17025 ATOM 17021 OW SOL 5150 28.210 45.490 9.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17026 ATOM 17022 HW1 SOL 5150 29.190 45.280 9.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17027 ATOM 17023 HW2 SOL 5150 28.040 46.300 10.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17028 ATOM 17024 OW SOL 5151 31.250 45.200 0.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17029 ATOM 17025 HW1 SOL 5151 31.100 44.890 -0.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17030 ATOM 17026 HW2 SOL 5151 31.840 46.020 0.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17031 ATOM 17027 OW SOL 5152 38.030 52.680 6.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17032 ATOM 17028 HW1 SOL 5152 37.140 52.270 6.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17033 ATOM 17029 HW2 SOL 5152 38.660 52.520 5.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17034 ATOM 17030 OW SOL 5153 21.240 50.050 17.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17035 ATOM 17031 HW1 SOL 5153 20.700 49.390 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17036 ATOM 17032 HW2 SOL 5153 20.710 50.350 17.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17037 ATOM 17033 OW SOL 5154 21.520 49.550 7.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17038 ATOM 17034 HW1 SOL 5154 21.850 48.890 7.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17039 ATOM 17035 HW2 SOL 5154 20.820 49.120 6.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17040 ATOM 17036 OW SOL 5155 26.030 52.700 14.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17041 ATOM 17037 HW1 SOL 5155 25.470 53.460 14.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17042 ATOM 17038 HW2 SOL 5155 26.830 53.060 15.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17043 ATOM 17039 OW SOL 5156 36.890 38.510 12.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17044 ATOM 17040 HW1 SOL 5156 36.730 37.700 13.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17045 ATOM 17041 HW2 SOL 5156 36.890 38.260 11.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17046 ATOM 17042 OW SOL 5157 22.390 39.220 5.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17047 ATOM 17043 HW1 SOL 5157 21.870 38.560 4.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17048 ATOM 17044 HW2 SOL 5157 22.080 39.180 6.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17049 ATOM 17045 OW SOL 5158 37.620 49.230 9.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17050 ATOM 17046 HW1 SOL 5158 37.590 48.460 8.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17051 ATOM 17047 HW2 SOL 5158 37.200 48.970 10.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17052 ATOM 17048 OW SOL 5159 22.070 42.130 12.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17053 ATOM 17049 HW1 SOL 5159 22.580 41.480 13.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17054 ATOM 17050 HW2 SOL 5159 22.230 41.930 11.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17055 ATOM 17051 OW SOL 5160 27.910 51.900 7.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17056 ATOM 17052 HW1 SOL 5160 27.160 52.470 7.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17057 ATOM 17053 HW2 SOL 5160 27.830 51.780 6.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17058 ATOM 17054 OW SOL 5161 35.330 40.990 12.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17059 ATOM 17055 HW1 SOL 5161 36.070 40.310 12.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17060 ATOM 17056 HW2 SOL 5161 35.230 41.330 13.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17061 ATOM 17057 OW SOL 5162 28.660 35.760 9.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17062 ATOM 17058 HW1 SOL 5162 28.910 35.910 8.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17063 ATOM 17059 HW2 SOL 5162 29.410 35.290 10.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17064 ATOM 17060 OW SOL 5163 28.380 49.000 3.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17065 ATOM 17061 HW1 SOL 5163 27.420 48.760 4.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17066 ATOM 17062 HW2 SOL 5163 28.890 48.700 4.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17067 ATOM 17063 OW SOL 5164 24.250 51.270 10.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17068 ATOM 17064 HW1 SOL 5164 23.870 51.380 11.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17069 ATOM 17065 HW2 SOL 5164 25.240 51.400 10.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17070 ATOM 17066 OW SOL 5165 33.010 37.560 0.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17071 ATOM 17067 HW1 SOL 5165 32.580 37.970 -0.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17072 ATOM 17068 HW2 SOL 5165 32.380 36.920 0.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17073 ATOM 17069 OW SOL 5166 32.000 40.410 5.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17074 ATOM 17070 HW1 SOL 5166 32.060 41.210 5.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17075 ATOM 17071 HW2 SOL 5166 31.140 40.440 6.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17076 ATOM 17072 OW SOL 5167 34.990 37.420 8.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17077 ATOM 17073 HW1 SOL 5167 34.140 37.000 8.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17078 ATOM 17074 HW2 SOL 5167 34.900 38.410 8.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17079 ATOM 17075 OW SOL 5168 19.970 47.960 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17080 ATOM 17076 HW1 SOL 5168 20.740 48.330 1.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17081 ATOM 17077 HW2 SOL 5168 19.970 46.960 1.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17082 ATOM 17078 OW SOL 5169 29.620 54.040 4.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17083 ATOM 17079 HW1 SOL 5169 30.180 54.140 3.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17084 ATOM 17080 HW2 SOL 5169 28.860 53.420 3.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17085 ATOM 17081 OW SOL 5170 21.940 42.920 19.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17086 ATOM 17082 HW1 SOL 5170 20.950 42.810 18.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17087 ATOM 17083 HW2 SOL 5170 22.380 42.500 18.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17088 ATOM 17084 OW SOL 5171 21.270 39.880 27.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17089 ATOM 17085 HW1 SOL 5171 21.620 40.130 28.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17090 ATOM 17086 HW2 SOL 5171 20.340 39.530 27.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17091 ATOM 17087 OW SOL 5172 37.120 41.900 21.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17092 ATOM 17088 HW1 SOL 5172 36.810 42.160 20.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17093 ATOM 17089 HW2 SOL 5172 36.470 41.260 21.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17094 ATOM 17090 OW SOL 5173 19.760 51.910 25.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17095 ATOM 17091 HW1 SOL 5173 19.430 52.260 25.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17096 ATOM 17092 HW2 SOL 5173 19.670 50.910 25.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17097 ATOM 17093 OW SOL 5174 21.930 44.730 35.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17098 ATOM 17094 HW1 SOL 5174 21.180 44.280 35.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17099 ATOM 17095 HW2 SOL 5174 22.800 44.280 35.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17100 ATOM 17096 OW SOL 5175 20.980 54.510 22.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17101 ATOM 17097 HW1 SOL 5175 20.910 55.500 22.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17102 ATOM 17098 HW2 SOL 5175 21.930 54.250 22.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17103 ATOM 17099 OW SOL 5176 22.900 51.480 22.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17104 ATOM 17100 HW1 SOL 5176 22.530 51.400 23.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17105 ATOM 17101 HW2 SOL 5176 22.780 52.420 22.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17106 ATOM 17102 OW SOL 5177 35.510 52.970 21.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17107 ATOM 17103 HW1 SOL 5177 35.850 52.410 22.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17108 ATOM 17104 HW2 SOL 5177 36.030 53.820 21.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17109 ATOM 17105 OW SOL 5178 18.880 53.020 17.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17110 ATOM 17106 HW1 SOL 5178 18.450 52.120 17.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17111 ATOM 17107 HW2 SOL 5178 18.760 53.460 18.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17112 ATOM 17108 OW SOL 5179 19.710 42.740 33.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17113 ATOM 17109 HW1 SOL 5179 20.680 42.940 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17114 ATOM 17110 HW2 SOL 5179 19.270 43.500 33.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17115 ATOM 17111 OW SOL 5180 26.220 37.600 23.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17116 ATOM 17112 HW1 SOL 5180 25.680 37.280 24.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17117 ATOM 17113 HW2 SOL 5180 25.610 38.000 23.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17118 ATOM 17114 OW SOL 5181 33.870 44.980 20.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17119 ATOM 17115 HW1 SOL 5181 33.670 44.050 21.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17120 ATOM 17116 HW2 SOL 5181 34.570 45.380 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17121 ATOM 17117 OW SOL 5182 22.610 38.130 37.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17122 ATOM 17118 HW1 SOL 5182 22.130 39.010 37.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17123 ATOM 17119 HW2 SOL 5182 23.280 38.100 36.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17124 ATOM 17120 OW SOL 5183 33.220 53.360 20.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17125 ATOM 17121 HW1 SOL 5183 34.020 53.420 21.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17126 ATOM 17122 HW2 SOL 5183 33.390 52.670 19.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17127 ATOM 17123 OW SOL 5184 27.150 39.710 33.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17128 ATOM 17124 HW1 SOL 5184 27.050 38.720 33.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17129 ATOM 17125 HW2 SOL 5184 27.630 39.880 32.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17130 ATOM 17126 OW SOL 5185 19.040 55.710 35.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17131 ATOM 17127 HW1 SOL 5185 19.350 55.170 36.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17132 ATOM 17128 HW2 SOL 5185 18.520 56.500 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17133 ATOM 17129 OW SOL 5186 20.170 55.590 25.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17134 ATOM 17130 HW1 SOL 5186 20.420 54.980 26.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17135 ATOM 17131 HW2 SOL 5186 20.750 55.410 24.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17136 ATOM 17132 OW SOL 5187 22.120 45.690 18.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17137 ATOM 17133 HW1 SOL 5187 22.760 45.960 17.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17138 ATOM 17134 HW2 SOL 5187 22.370 44.790 19.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17139 ATOM 17135 OW SOL 5188 29.060 51.930 19.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17140 ATOM 17136 HW1 SOL 5188 28.710 52.780 19.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17141 ATOM 17137 HW2 SOL 5188 29.930 52.110 18.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17142 ATOM 17138 OW SOL 5189 23.270 41.080 32.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17143 ATOM 17139 HW1 SOL 5189 22.810 41.970 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17144 ATOM 17140 HW2 SOL 5189 24.250 41.210 32.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17145 ATOM 17141 OW SOL 5190 35.600 49.810 18.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17146 ATOM 17142 HW1 SOL 5190 34.720 50.260 18.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17147 ATOM 17143 HW2 SOL 5190 35.530 48.860 18.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17148 ATOM 17144 OW SOL 5191 23.590 54.350 22.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17149 ATOM 17145 HW1 SOL 5191 23.670 55.220 23.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17150 ATOM 17146 HW2 SOL 5191 24.500 54.010 22.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17151 ATOM 17147 OW SOL 5192 21.000 53.680 27.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17152 ATOM 17148 HW1 SOL 5192 21.650 53.400 28.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17153 ATOM 17149 HW2 SOL 5192 20.650 52.870 26.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17154 ATOM 17150 OW SOL 5193 21.990 43.390 21.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17155 ATOM 17151 HW1 SOL 5193 21.930 42.480 22.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17156 ATOM 17152 HW2 SOL 5193 21.940 43.340 20.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17157 ATOM 17153 OW SOL 5194 28.530 40.900 19.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17158 ATOM 17154 HW1 SOL 5194 28.400 41.370 18.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17159 ATOM 17155 HW2 SOL 5194 28.110 39.990 19.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17160 ATOM 17156 OW SOL 5195 27.040 37.840 36.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17161 ATOM 17157 HW1 SOL 5195 27.530 37.590 35.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17162 ATOM 17158 HW2 SOL 5195 27.680 38.200 36.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17163 ATOM 17159 OW SOL 5196 24.180 38.470 22.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17164 ATOM 17160 HW1 SOL 5196 23.580 38.860 23.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17165 ATOM 17161 HW2 SOL 5196 23.960 38.860 21.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17166 ATOM 17162 OW SOL 5197 32.120 46.380 19.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17167 ATOM 17163 HW1 SOL 5197 32.880 45.880 19.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17168 ATOM 17164 HW2 SOL 5197 31.260 45.940 19.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17169 ATOM 17165 OW SOL 5198 21.180 35.750 18.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17170 ATOM 17166 HW1 SOL 5198 20.230 35.450 18.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17171 ATOM 17167 HW2 SOL 5198 21.770 35.130 19.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17172 ATOM 17168 OW SOL 5199 25.950 43.540 15.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17173 ATOM 17169 HW1 SOL 5199 26.350 42.690 16.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17174 ATOM 17170 HW2 SOL 5199 26.310 43.760 14.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17175 ATOM 17171 OW SOL 5200 17.560 43.530 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17176 ATOM 17172 HW1 SOL 5200 18.380 43.190 31.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17177 ATOM 17173 HW2 SOL 5200 17.620 44.530 31.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17178 ATOM 17174 OW SOL 5201 24.310 37.680 28.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17179 ATOM 17175 HW1 SOL 5201 24.790 37.390 29.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17180 ATOM 17176 HW2 SOL 5201 23.630 38.380 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17181 ATOM 17177 OW SOL 5202 37.550 44.290 22.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17182 ATOM 17178 HW1 SOL 5202 36.760 44.870 22.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17183 ATOM 17179 HW2 SOL 5202 37.290 43.330 22.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17184 ATOM 17180 OW SOL 5203 24.110 54.930 16.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17185 ATOM 17181 HW1 SOL 5203 24.090 55.070 15.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17186 ATOM 17182 HW2 SOL 5203 23.180 54.850 16.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17187 ATOM 17183 OW SOL 5204 33.810 41.200 19.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17188 ATOM 17184 HW1 SOL 5204 34.750 41.460 19.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17189 ATOM 17185 HW2 SOL 5204 33.200 41.630 18.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17190 ATOM 17186 OW SOL 5205 24.810 41.640 19.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17191 ATOM 17187 HW1 SOL 5205 25.660 41.920 18.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17192 ATOM 17188 HW2 SOL 5205 24.060 42.210 18.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17193 ATOM 17189 OW SOL 5206 19.110 53.250 31.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17194 ATOM 17190 HW1 SOL 5206 19.280 53.940 30.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17195 ATOM 17191 HW2 SOL 5206 19.160 52.340 31.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17196 ATOM 17192 OW SOL 5207 35.680 46.000 22.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17197 ATOM 17193 HW1 SOL 5207 35.050 45.850 23.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17198 ATOM 17194 HW2 SOL 5207 35.780 46.980 22.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17199 ATOM 17195 OW SOL 5208 20.050 50.590 30.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17200 ATOM 17196 HW1 SOL 5208 19.550 50.840 29.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17201 ATOM 17197 HW2 SOL 5208 21.030 50.780 30.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17202 ATOM 17198 OW SOL 5209 21.710 44.360 32.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17203 ATOM 17199 HW1 SOL 5209 22.220 44.830 31.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17204 ATOM 17200 HW2 SOL 5209 21.770 44.900 33.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17205 ATOM 17201 OW SOL 5210 24.430 38.260 35.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17206 ATOM 17202 HW1 SOL 5210 24.200 38.420 34.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17207 ATOM 17203 HW2 SOL 5210 25.420 38.110 35.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17208 ATOM 17204 OW SOL 5211 22.580 40.060 29.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17209 ATOM 17205 HW1 SOL 5211 22.130 40.960 29.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17210 ATOM 17206 HW2 SOL 5211 22.220 39.470 30.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17211 ATOM 17207 OW SOL 5212 18.840 49.060 32.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17212 ATOM 17208 HW1 SOL 5212 18.930 49.780 31.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17213 ATOM 17209 HW2 SOL 5212 18.130 49.300 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17214 ATOM 17210 OW SOL 5213 20.600 37.800 23.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17215 ATOM 17211 HW1 SOL 5213 19.720 37.790 23.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17216 ATOM 17212 HW2 SOL 5213 21.260 38.330 23.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17217 ATOM 17213 OW SOL 5214 21.050 47.510 35.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17218 ATOM 17214 HW1 SOL 5214 21.480 46.620 35.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17219 ATOM 17215 HW2 SOL 5214 21.060 47.770 34.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17220 ATOM 17216 OW SOL 5215 32.730 38.090 18.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17221 ATOM 17217 HW1 SOL 5215 32.450 39.020 19.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17222 ATOM 17218 HW2 SOL 5215 32.340 37.460 19.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17223 ATOM 17219 OW SOL 5216 30.650 43.190 14.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17224 ATOM 17220 HW1 SOL 5216 30.160 42.650 13.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17225 ATOM 17221 HW2 SOL 5216 31.530 42.750 14.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17226 ATOM 17222 OW SOL 5217 19.130 50.100 20.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17227 ATOM 17223 HW1 SOL 5217 18.570 50.560 19.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17228 ATOM 17224 HW2 SOL 5217 18.720 49.220 20.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17229 ATOM 17225 OW SOL 5218 18.440 56.610 27.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17230 ATOM 17226 HW1 SOL 5218 17.760 57.240 26.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17231 ATOM 17227 HW2 SOL 5218 19.040 56.290 26.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17232 ATOM 17228 OW SOL 5219 17.820 43.520 38.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17233 ATOM 17229 HW1 SOL 5219 17.510 42.580 38.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17234 ATOM 17230 HW2 SOL 5219 17.330 43.910 37.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17235 ATOM 17231 OW SOL 5220 23.170 52.330 34.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17236 ATOM 17232 HW1 SOL 5220 23.640 53.150 34.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17237 ATOM 17233 HW2 SOL 5220 22.990 52.430 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17238 ATOM 17234 OW SOL 5221 24.850 39.450 16.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17239 ATOM 17235 HW1 SOL 5221 24.570 39.510 17.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17240 ATOM 17236 HW2 SOL 5221 25.640 40.040 16.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17241 ATOM 17237 OW SOL 5222 29.600 44.520 22.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17242 ATOM 17238 HW1 SOL 5222 29.420 44.440 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17243 ATOM 17239 HW2 SOL 5222 30.430 45.060 21.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17244 ATOM 17240 OW SOL 5223 17.960 49.790 28.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17245 ATOM 17241 HW1 SOL 5223 17.650 50.180 29.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17246 ATOM 17242 HW2 SOL 5223 17.340 49.060 28.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17247 ATOM 17243 OW SOL 5224 20.200 54.140 37.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17248 ATOM 17244 HW1 SOL 5224 19.380 53.790 38.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17249 ATOM 17245 HW2 SOL 5224 20.910 53.440 37.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17250 ATOM 17246 OW SOL 5225 26.420 54.600 18.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17251 ATOM 17247 HW1 SOL 5225 27.250 54.580 17.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17252 ATOM 17248 HW2 SOL 5225 25.610 54.530 17.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17253 ATOM 17249 OW SOL 5226 22.270 39.350 24.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17254 ATOM 17250 HW1 SOL 5226 21.800 39.560 25.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17255 ATOM 17251 HW2 SOL 5226 23.260 39.390 24.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17256 ATOM 17252 OW SOL 5227 31.090 52.990 17.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17257 ATOM 17253 HW1 SOL 5227 30.970 53.090 16.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17258 ATOM 17254 HW2 SOL 5227 31.620 53.760 18.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17259 ATOM 17255 OW SOL 5228 34.050 52.140 17.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17260 ATOM 17256 HW1 SOL 5228 33.220 51.710 17.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17261 ATOM 17257 HW2 SOL 5228 34.720 52.220 17.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17262 ATOM 17258 OW SOL 5229 23.230 47.790 19.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17263 ATOM 17259 HW1 SOL 5229 22.840 47.100 19.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17264 ATOM 17260 HW2 SOL 5229 22.750 48.650 19.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17265 ATOM 17261 OW SOL 5230 21.690 49.920 21.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17266 ATOM 17262 HW1 SOL 5230 20.700 50.090 21.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17267 ATOM 17263 HW2 SOL 5230 22.100 50.580 21.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17268 ATOM 17264 OW SOL 5231 20.970 49.630 37.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17269 ATOM 17265 HW1 SOL 5231 21.030 49.350 38.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17270 ATOM 17266 HW2 SOL 5231 21.190 48.840 36.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17271 ATOM 17267 OW SOL 5232 26.780 37.230 31.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17272 ATOM 17268 HW1 SOL 5232 27.300 36.380 31.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17273 ATOM 17269 HW2 SOL 5232 27.290 37.940 31.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17274 ATOM 17270 OW SOL 5233 18.960 39.510 17.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17275 ATOM 17271 HW1 SOL 5233 18.800 40.300 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17276 ATOM 17272 HW2 SOL 5233 18.150 38.920 17.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17277 ATOM 17273 OW SOL 5234 21.240 38.560 18.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17278 ATOM 17274 HW1 SOL 5234 20.530 39.010 18.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17279 ATOM 17275 HW2 SOL 5234 21.250 37.580 18.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17280 ATOM 17276 OW SOL 5235 24.760 44.090 35.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17281 ATOM 17277 HW1 SOL 5235 24.980 43.190 34.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17282 ATOM 17278 HW2 SOL 5235 24.580 44.730 34.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17283 ATOM 17279 OW SOL 5236 20.250 54.380 33.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17284 ATOM 17280 HW1 SOL 5236 19.480 54.570 34.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17285 ATOM 17281 HW2 SOL 5236 19.970 53.720 33.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17286 ATOM 17282 OW SOL 5237 27.630 51.530 17.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17287 ATOM 17283 HW1 SOL 5237 27.900 51.710 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17288 ATOM 17284 HW2 SOL 5237 27.470 52.390 16.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17289 ATOM 17285 OW SOL 5238 29.710 43.390 17.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17290 ATOM 17286 HW1 SOL 5238 29.480 43.990 16.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17291 ATOM 17287 HW2 SOL 5238 29.040 42.650 17.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17292 ATOM 17288 OW SOL 5239 21.910 52.070 37.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17293 ATOM 17289 HW1 SOL 5239 21.530 51.200 37.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17294 ATOM 17290 HW2 SOL 5239 21.940 52.050 38.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17295 ATOM 17291 OW SOL 5240 21.540 41.160 22.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17296 ATOM 17292 HW1 SOL 5240 21.060 40.460 22.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17297 ATOM 17293 HW2 SOL 5240 21.800 40.800 23.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17298 ATOM 17294 OW SOL 5241 28.570 35.380 30.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17299 ATOM 17295 HW1 SOL 5241 29.110 35.840 29.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17300 ATOM 17296 HW2 SOL 5241 29.160 35.150 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17301 ATOM 17297 OW SOL 5242 31.240 39.590 21.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17302 ATOM 17298 HW1 SOL 5242 30.560 39.020 21.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17303 ATOM 17299 HW2 SOL 5242 30.810 40.440 21.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17304 ATOM 17300 OW SOL 5243 20.560 47.500 21.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17305 ATOM 17301 HW1 SOL 5243 21.060 48.230 21.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17306 ATOM 17302 HW2 SOL 5243 21.200 46.880 22.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17307 ATOM 17303 OW SOL 5244 27.990 54.360 20.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17308 ATOM 17304 HW1 SOL 5244 27.420 54.700 19.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17309 ATOM 17305 HW2 SOL 5244 27.410 54.090 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17310 ATOM 17306 OW SOL 5245 19.280 45.060 39.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17311 ATOM 17307 HW1 SOL 5245 18.740 44.570 40.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17312 ATOM 17308 HW2 SOL 5245 18.820 44.980 38.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17313 ATOM 17309 OW SOL 5246 21.100 39.470 46.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17314 ATOM 17310 HW1 SOL 5246 21.540 38.580 46.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17315 ATOM 17311 HW2 SOL 5246 20.120 39.340 46.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17316 ATOM 17312 OW SOL 5247 18.010 38.840 43.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17317 ATOM 17313 HW1 SOL 5247 17.770 39.550 44.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17318 ATOM 17314 HW2 SOL 5247 17.190 38.580 43.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17319 ATOM 17315 OW SOL 5248 23.250 52.010 48.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17320 ATOM 17316 HW1 SOL 5248 23.550 52.730 49.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17321 ATOM 17317 HW2 SOL 5248 23.160 52.370 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17322 ATOM 17318 OW SOL 5249 28.370 42.940 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17323 ATOM 17319 HW1 SOL 5249 28.730 43.870 44.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17324 ATOM 17320 HW2 SOL 5249 27.460 42.920 44.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17325 ATOM 17321 OW SOL 5250 25.490 50.070 45.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17326 ATOM 17322 HW1 SOL 5250 26.420 49.810 45.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17327 ATOM 17323 HW2 SOL 5250 25.460 50.290 46.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17328 ATOM 17324 OW SOL 5251 28.710 44.800 52.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17329 ATOM 17325 HW1 SOL 5251 28.700 45.550 53.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17330 ATOM 17326 HW2 SOL 5251 28.060 45.010 51.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17331 ATOM 17327 OW SOL 5252 24.850 45.500 43.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17332 ATOM 17328 HW1 SOL 5252 25.400 46.100 44.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17333 ATOM 17329 HW2 SOL 5252 24.140 46.030 43.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17334 ATOM 17330 OW SOL 5253 25.260 48.840 53.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17335 ATOM 17331 HW1 SOL 5253 25.770 48.970 53.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17336 ATOM 17332 HW2 SOL 5253 24.800 49.690 52.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17337 ATOM 17333 OW SOL 5254 20.740 51.120 49.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17338 ATOM 17334 HW1 SOL 5254 21.660 51.350 49.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17339 ATOM 17335 HW2 SOL 5254 20.070 51.590 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17340 ATOM 17336 OW SOL 5255 31.740 54.890 49.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17341 ATOM 17337 HW1 SOL 5255 32.660 55.240 49.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17342 ATOM 17338 HW2 SOL 5255 31.310 54.630 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17343 ATOM 17339 OW SOL 5256 21.460 41.390 50.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17344 ATOM 17340 HW1 SOL 5256 22.170 40.980 51.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17345 ATOM 17341 HW2 SOL 5256 21.600 41.130 49.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17346 ATOM 17342 OW SOL 5257 20.110 55.930 41.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17347 ATOM 17343 HW1 SOL 5257 19.350 55.680 42.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17348 ATOM 17344 HW2 SOL 5257 20.820 56.390 42.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17349 ATOM 17345 OW SOL 5258 29.610 51.700 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17350 ATOM 17346 HW1 SOL 5258 30.380 51.150 52.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17351 ATOM 17347 HW2 SOL 5258 28.800 51.110 52.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17352 ATOM 17348 OW SOL 5259 20.480 53.060 41.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17353 ATOM 17349 HW1 SOL 5259 20.450 54.060 41.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17354 ATOM 17350 HW2 SOL 5259 19.750 52.720 42.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17355 ATOM 17351 OW SOL 5260 21.000 48.880 45.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17356 ATOM 17352 HW1 SOL 5260 21.910 48.510 45.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17357 ATOM 17353 HW2 SOL 5260 20.330 48.420 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17358 ATOM 17354 OW SOL 5261 25.440 56.030 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17359 ATOM 17355 HW1 SOL 5261 24.530 56.250 52.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17360 ATOM 17356 HW2 SOL 5261 25.810 56.810 51.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17361 ATOM 17357 OW SOL 5262 34.490 41.400 52.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17362 ATOM 17358 HW1 SOL 5262 33.960 41.230 52.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17363 ATOM 17359 HW2 SOL 5262 34.980 42.270 52.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17364 ATOM 17360 OW SOL 5263 22.060 42.020 41.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17365 ATOM 17361 HW1 SOL 5263 22.110 41.420 42.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17366 ATOM 17362 HW2 SOL 5263 21.260 42.610 41.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17367 ATOM 17363 OW SOL 5264 37.640 54.550 42.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17368 ATOM 17364 HW1 SOL 5264 38.550 54.180 42.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17369 ATOM 17365 HW2 SOL 5264 37.600 54.800 41.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17370 ATOM 17366 OW SOL 5265 17.770 52.810 39.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17371 ATOM 17367 HW1 SOL 5265 17.030 53.370 38.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17372 ATOM 17368 HW2 SOL 5265 18.010 53.140 39.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17373 ATOM 17369 OW SOL 5266 19.320 45.090 48.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17374 ATOM 17370 HW1 SOL 5266 20.300 44.940 48.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17375 ATOM 17371 HW2 SOL 5266 18.930 45.600 49.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17376 ATOM 17372 OW SOL 5267 24.780 51.950 41.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17377 ATOM 17373 HW1 SOL 5267 24.430 51.780 42.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17378 ATOM 17374 HW2 SOL 5267 24.150 51.560 40.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17379 ATOM 17375 OW SOL 5268 30.780 50.140 48.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17380 ATOM 17376 HW1 SOL 5268 30.220 49.370 48.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17381 ATOM 17377 HW2 SOL 5268 31.320 49.850 49.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17382 ATOM 17378 OW SOL 5269 21.850 48.140 51.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17383 ATOM 17379 HW1 SOL 5269 22.330 47.270 51.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17384 ATOM 17380 HW2 SOL 5269 21.190 48.100 50.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17385 ATOM 17381 OW SOL 5270 30.190 56.650 52.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17386 ATOM 17382 HW1 SOL 5270 29.670 57.270 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17387 ATOM 17383 HW2 SOL 5270 30.130 55.720 52.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17388 ATOM 17384 OW SOL 5271 21.080 41.850 57.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17389 ATOM 17385 HW1 SOL 5271 21.150 42.590 57.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17390 ATOM 17386 HW2 SOL 5271 20.150 41.820 56.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17391 ATOM 17387 OW SOL 5272 35.090 53.740 43.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17392 ATOM 17388 HW1 SOL 5272 35.900 54.090 42.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17393 ATOM 17389 HW2 SOL 5272 35.280 52.810 43.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17394 ATOM 17390 OW SOL 5273 23.030 43.930 39.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17395 ATOM 17391 HW1 SOL 5273 23.990 44.180 39.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17396 ATOM 17392 HW2 SOL 5273 22.910 43.230 40.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17397 ATOM 17393 OW SOL 5274 23.340 43.700 51.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17398 ATOM 17394 HW1 SOL 5274 22.970 42.840 51.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17399 ATOM 17395 HW2 SOL 5274 23.940 43.500 50.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17400 ATOM 17396 OW SOL 5275 31.610 43.140 53.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17401 ATOM 17397 HW1 SOL 5275 31.830 43.030 54.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17402 ATOM 17398 HW2 SOL 5275 30.900 43.840 53.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17403 ATOM 17399 OW SOL 5276 26.880 45.510 50.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17404 ATOM 17400 HW1 SOL 5276 26.290 44.770 50.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17405 ATOM 17401 HW2 SOL 5276 26.810 46.300 49.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17406 ATOM 17402 OW SOL 5277 29.330 42.220 37.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17407 ATOM 17403 HW1 SOL 5277 28.570 41.800 37.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17408 ATOM 17404 HW2 SOL 5277 30.050 41.540 37.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17409 ATOM 17405 OW SOL 5278 19.520 43.350 43.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17410 ATOM 17406 HW1 SOL 5278 20.360 43.860 44.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17411 ATOM 17407 HW2 SOL 5278 19.130 43.010 44.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17412 ATOM 17408 OW SOL 5279 18.580 56.320 53.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17413 ATOM 17409 HW1 SOL 5279 17.750 56.640 54.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17414 ATOM 17410 HW2 SOL 5279 18.330 55.730 52.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17415 ATOM 17411 OW SOL 5280 37.420 42.210 54.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17416 ATOM 17412 HW1 SOL 5280 36.950 42.880 53.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17417 ATOM 17413 HW2 SOL 5280 37.000 41.310 54.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17418 ATOM 17414 OW SOL 5281 27.370 51.440 41.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17419 ATOM 17415 HW1 SOL 5281 27.630 52.130 40.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17420 ATOM 17416 HW2 SOL 5281 26.380 51.390 41.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17421 ATOM 17417 OW SOL 5282 21.420 54.050 46.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17422 ATOM 17418 HW1 SOL 5282 21.160 53.160 46.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17423 ATOM 17419 HW2 SOL 5282 22.330 54.300 46.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17424 ATOM 17420 OW SOL 5283 34.530 46.880 45.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17425 ATOM 17421 HW1 SOL 5283 34.350 46.020 45.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17426 ATOM 17422 HW2 SOL 5283 33.730 47.140 46.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17427 ATOM 17423 OW SOL 5284 29.980 54.260 51.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17428 ATOM 17424 HW1 SOL 5284 29.840 53.330 51.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17429 ATOM 17425 HW2 SOL 5284 29.360 54.450 50.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17430 ATOM 17426 OW SOL 5285 21.660 46.480 39.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17431 ATOM 17427 HW1 SOL 5285 22.340 45.770 39.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17432 ATOM 17428 HW2 SOL 5285 20.740 46.100 39.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17433 ATOM 17429 OW SOL 5286 25.390 51.770 52.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17434 ATOM 17430 HW1 SOL 5286 24.390 51.850 52.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17435 ATOM 17431 HW2 SOL 5286 25.720 52.540 53.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17436 ATOM 17432 OW SOL 5287 19.630 40.470 53.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17437 ATOM 17433 HW1 SOL 5287 19.910 41.070 52.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17438 ATOM 17434 HW2 SOL 5287 18.660 40.600 53.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17439 ATOM 17435 OW SOL 5288 22.800 56.070 42.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17440 ATOM 17436 HW1 SOL 5288 22.870 57.050 42.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17441 ATOM 17437 HW2 SOL 5288 23.080 55.550 42.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17442 ATOM 17438 OW SOL 5289 20.480 56.430 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17443 ATOM 17439 HW1 SOL 5289 20.490 55.660 50.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17444 ATOM 17440 HW2 SOL 5289 20.000 56.170 48.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17445 ATOM 17441 OW SOL 5290 28.400 53.870 44.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17446 ATOM 17442 HW1 SOL 5290 28.860 53.060 44.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17447 ATOM 17443 HW2 SOL 5290 28.040 53.670 43.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17448 ATOM 17444 OW SOL 5291 21.790 39.890 39.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17449 ATOM 17445 HW1 SOL 5291 21.440 40.240 38.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17450 ATOM 17446 HW2 SOL 5291 21.660 40.580 40.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17451 ATOM 17447 OW SOL 5292 31.170 39.170 54.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17452 ATOM 17448 HW1 SOL 5292 31.850 39.140 55.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17453 ATOM 17449 HW2 SOL 5292 31.320 38.420 54.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17454 ATOM 17450 OW SOL 5293 26.570 39.290 54.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17455 ATOM 17451 HW1 SOL 5293 27.320 38.920 54.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17456 ATOM 17452 HW2 SOL 5293 25.700 39.010 54.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17457 ATOM 17453 OW SOL 5294 24.350 56.620 48.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17458 ATOM 17454 HW1 SOL 5294 23.640 57.320 48.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17459 ATOM 17455 HW2 SOL 5294 24.500 56.320 47.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17460 ATOM 17456 OW SOL 5295 24.050 51.730 44.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17461 ATOM 17457 HW1 SOL 5295 24.310 52.640 44.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17462 ATOM 17458 HW2 SOL 5295 24.490 51.040 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17463 ATOM 17459 OW SOL 5296 22.980 37.460 46.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17464 ATOM 17460 HW1 SOL 5296 22.980 37.670 45.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17465 ATOM 17461 HW2 SOL 5296 23.800 37.840 46.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17466 ATOM 17462 OW SOL 5297 30.320 52.010 44.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17467 ATOM 17463 HW1 SOL 5297 30.770 52.760 43.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17468 ATOM 17464 HW2 SOL 5297 30.590 51.140 43.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17469 ATOM 17465 OW SOL 5298 23.080 47.400 42.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17470 ATOM 17466 HW1 SOL 5298 22.730 48.330 42.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17471 ATOM 17467 HW2 SOL 5298 22.880 46.950 41.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17472 ATOM 17468 OW SOL 5299 31.640 56.790 42.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17473 ATOM 17469 HW1 SOL 5299 32.350 56.510 42.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17474 ATOM 17470 HW2 SOL 5299 32.060 57.290 43.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17475 ATOM 17471 OW SOL 5300 30.950 40.040 37.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17476 ATOM 17472 HW1 SOL 5300 30.600 39.900 36.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17477 ATOM 17473 HW2 SOL 5300 31.230 39.170 38.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17478 ATOM 17474 OW SOL 5301 18.800 42.590 50.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17479 ATOM 17475 HW1 SOL 5301 19.710 42.250 50.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17480 ATOM 17476 HW2 SOL 5301 18.690 43.510 50.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17481 ATOM 17477 OW SOL 5302 23.000 38.620 43.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17482 ATOM 17478 HW1 SOL 5302 22.120 39.080 43.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17483 ATOM 17479 HW2 SOL 5302 23.490 38.590 42.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17484 ATOM 17480 OW SOL 5303 33.700 48.850 43.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17485 ATOM 17481 HW1 SOL 5303 34.050 48.080 44.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17486 ATOM 17482 HW2 SOL 5303 32.740 48.990 43.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17487 ATOM 17483 OW SOL 5304 34.820 48.680 48.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17488 ATOM 17484 HW1 SOL 5304 34.100 48.310 48.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17489 ATOM 17485 HW2 SOL 5304 35.550 48.010 49.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17490 ATOM 17486 OW SOL 5305 28.910 52.160 48.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17491 ATOM 17487 HW1 SOL 5305 28.130 51.870 49.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17492 ATOM 17488 HW2 SOL 5305 29.670 51.530 48.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17493 ATOM 17489 OW SOL 5306 35.190 54.870 52.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17494 ATOM 17490 HW1 SOL 5306 34.620 55.050 51.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17495 ATOM 17491 HW2 SOL 5306 35.610 53.970 52.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17496 ATOM 17492 OW SOL 5307 28.300 50.230 45.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17497 ATOM 17493 HW1 SOL 5307 28.600 51.160 45.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17498 ATOM 17494 HW2 SOL 5307 28.730 49.940 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17499 ATOM 17495 OW SOL 5308 25.740 41.430 53.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17500 ATOM 17496 HW1 SOL 5308 25.850 40.500 53.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17501 ATOM 17497 HW2 SOL 5308 26.600 41.930 53.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17502 ATOM 17498 OW SOL 5309 28.050 48.900 51.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17503 ATOM 17499 HW1 SOL 5309 27.060 48.950 51.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17504 ATOM 17500 HW2 SOL 5309 28.290 48.590 50.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17505 ATOM 17501 OW SOL 5310 25.850 42.860 43.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17506 ATOM 17502 HW1 SOL 5310 25.920 43.840 43.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17507 ATOM 17503 HW2 SOL 5310 26.440 42.600 42.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17508 ATOM 17504 OW SOL 5311 23.220 46.950 48.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17509 ATOM 17505 HW1 SOL 5311 23.620 46.980 49.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17510 ATOM 17506 HW2 SOL 5311 22.450 46.320 48.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17511 ATOM 17507 OW SOL 5312 18.150 54.830 51.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17512 ATOM 17508 HW1 SOL 5312 17.640 54.840 50.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17513 ATOM 17509 HW2 SOL 5312 18.940 54.230 51.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17514 ATOM 17510 OW SOL 5313 21.110 49.150 40.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17515 ATOM 17511 HW1 SOL 5313 20.250 49.130 40.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17516 ATOM 17512 HW2 SOL 5313 21.520 48.240 40.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17517 ATOM 17513 OW SOL 5314 23.570 43.390 45.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17518 ATOM 17514 HW1 SOL 5314 23.560 43.730 44.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17519 ATOM 17515 HW2 SOL 5314 24.180 43.970 46.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17520 ATOM 17516 OW SOL 5315 29.130 55.090 48.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17521 ATOM 17517 HW1 SOL 5315 30.130 55.160 48.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17522 ATOM 17518 HW2 SOL 5315 28.870 54.120 48.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17523 ATOM 17519 OW SOL 5316 20.950 53.870 50.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17524 ATOM 17520 HW1 SOL 5316 20.800 52.890 50.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17525 ATOM 17521 HW2 SOL 5316 21.870 54.120 50.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17526 ATOM 17522 OW SOL 5317 21.460 44.540 53.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17527 ATOM 17523 HW1 SOL 5317 22.160 44.450 53.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17528 ATOM 17524 HW2 SOL 5317 21.590 45.400 54.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17529 ATOM 17525 OW SOL 5318 36.330 43.950 52.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17530 ATOM 17526 HW1 SOL 5318 35.460 44.310 53.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17531 ATOM 17527 HW2 SOL 5318 36.980 44.700 52.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17532 ATOM 17528 OW SOL 5319 28.350 38.570 55.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17533 ATOM 17529 HW1 SOL 5319 29.350 38.510 55.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17534 ATOM 17530 HW2 SOL 5319 28.100 38.350 56.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17535 ATOM 17531 OW SOL 5320 21.980 40.710 54.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17536 ATOM 17532 HW1 SOL 5320 21.030 40.670 54.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17537 ATOM 17533 HW2 SOL 5320 22.080 41.420 55.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17538 ATOM 17534 OW SOL 5321 23.480 48.110 46.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17539 ATOM 17535 HW1 SOL 5321 24.120 48.840 45.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17540 ATOM 17536 HW2 SOL 5321 23.510 47.950 47.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17541 ATOM 17537 OW SOL 5322 22.450 38.710 49.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17542 ATOM 17538 HW1 SOL 5322 23.370 38.830 49.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17543 ATOM 17539 HW2 SOL 5322 22.490 38.560 50.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17544 ATOM 17540 OW SOL 5323 18.260 51.990 48.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17545 ATOM 17541 HW1 SOL 5323 18.110 51.670 47.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17546 ATOM 17542 HW2 SOL 5323 17.860 51.320 49.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17547 ATOM 17543 OW SOL 5324 25.100 45.070 47.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17548 ATOM 17544 HW1 SOL 5324 25.770 45.540 46.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17549 ATOM 17545 HW2 SOL 5324 24.390 45.710 47.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17550 ATOM 17546 OW SOL 5325 36.680 47.360 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17551 ATOM 17547 HW1 SOL 5325 37.020 46.690 53.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17552 ATOM 17548 HW2 SOL 5325 36.970 47.100 55.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17553 ATOM 17549 OW SOL 5326 21.760 36.050 43.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17554 ATOM 17550 HW1 SOL 5326 21.060 36.380 44.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17555 ATOM 17551 HW2 SOL 5326 22.330 36.810 43.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17556 ATOM 17552 OW SOL 5327 27.970 53.190 55.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17557 ATOM 17553 HW1 SOL 5327 28.810 53.200 55.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17558 ATOM 17554 HW2 SOL 5327 27.220 53.550 55.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17559 ATOM 17555 OW SOL 5328 36.340 52.190 52.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17560 ATOM 17556 HW1 SOL 5328 36.480 52.370 51.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17561 ATOM 17557 HW2 SOL 5328 37.220 52.170 52.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17562 ATOM 17558 OW SOL 5329 22.020 46.640 55.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17563 ATOM 17559 HW1 SOL 5329 22.920 46.730 55.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17564 ATOM 17560 HW2 SOL 5329 22.110 46.120 56.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17565 ATOM 17561 OW SOL 5330 28.660 49.530 42.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17566 ATOM 17562 HW1 SOL 5330 28.390 48.570 42.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17567 ATOM 17563 HW2 SOL 5330 28.040 50.070 42.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17568 ATOM 17564 OW SOL 5331 21.640 45.250 44.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17569 ATOM 17565 HW1 SOL 5331 21.840 45.700 45.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17570 ATOM 17566 HW2 SOL 5331 21.940 45.820 43.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17571 ATOM 17567 OW SOL 5332 21.640 41.980 47.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17572 ATOM 17568 HW1 SOL 5332 21.600 41.000 47.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17573 ATOM 17569 HW2 SOL 5332 22.290 42.410 46.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17574 ATOM 17570 OW SOL 5333 29.350 39.800 52.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17575 ATOM 17571 HW1 SOL 5333 28.850 40.550 53.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17576 ATOM 17572 HW2 SOL 5333 30.010 39.430 53.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17577 ATOM 17573 OW SOL 5334 30.310 38.590 50.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17578 ATOM 17574 HW1 SOL 5334 29.760 39.070 51.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17579 ATOM 17575 HW2 SOL 5334 30.800 39.260 50.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17580 ATOM 17576 OW SOL 5335 18.140 48.050 39.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17581 ATOM 17577 HW1 SOL 5335 18.230 49.020 38.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17582 ATOM 17578 HW2 SOL 5335 17.620 47.580 38.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17583 ATOM 17579 OW SOL 5336 19.450 55.670 47.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17584 ATOM 17580 HW1 SOL 5336 19.540 56.450 46.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17585 ATOM 17581 HW2 SOL 5336 20.300 55.140 47.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17586 ATOM 17582 OW SOL 5337 21.550 51.440 45.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17587 ATOM 17583 HW1 SOL 5337 22.280 51.640 45.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17588 ATOM 17584 HW2 SOL 5337 21.230 50.500 45.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17589 ATOM 17585 OW SOL 5338 18.950 43.030 46.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17590 ATOM 17586 HW1 SOL 5338 19.700 42.540 47.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17591 ATOM 17587 HW2 SOL 5338 19.120 44.010 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17592 ATOM 17588 OW SOL 5339 19.650 44.600 55.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17593 ATOM 17589 HW1 SOL 5339 20.440 44.400 55.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17594 ATOM 17590 HW2 SOL 5339 19.140 45.370 55.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17595 ATOM 17591 OW SOL 5340 33.990 45.980 52.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17596 ATOM 17592 HW1 SOL 5340 34.040 46.860 52.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17597 ATOM 17593 HW2 SOL 5340 33.150 45.930 51.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17598 ATOM 17594 OW SOL 5341 24.860 39.870 41.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17599 ATOM 17595 HW1 SOL 5341 25.330 40.650 41.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17600 ATOM 17596 HW2 SOL 5341 24.920 39.930 40.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17601 ATOM 17597 OW SOL 5342 19.250 52.970 55.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17602 ATOM 17598 HW1 SOL 5342 19.200 53.440 56.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17603 ATOM 17599 HW2 SOL 5342 19.660 52.070 55.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17604 ATOM 17600 OW SOL 5343 25.020 43.600 49.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17605 ATOM 17601 HW1 SOL 5343 25.750 42.920 49.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17606 ATOM 17602 HW2 SOL 5343 24.970 44.200 48.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17607 ATOM 17603 OW SOL 5344 27.050 54.850 50.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17608 ATOM 17604 HW1 SOL 5344 27.660 55.290 49.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17609 ATOM 17605 HW2 SOL 5344 26.780 55.510 51.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17610 ATOM 17606 OW SOL 5345 20.750 43.360 37.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17611 ATOM 17607 HW1 SOL 5345 21.120 43.830 38.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17612 ATOM 17608 HW2 SOL 5345 19.760 43.230 37.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17613 ATOM 17609 OW SOL 5346 20.550 50.240 52.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17614 ATOM 17610 HW1 SOL 5346 20.010 49.750 53.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17615 ATOM 17611 HW2 SOL 5346 21.190 49.610 52.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17616 ATOM 17612 OW SOL 5347 29.300 48.430 47.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17617 ATOM 17613 HW1 SOL 5347 29.860 47.680 46.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17618 ATOM 17614 HW2 SOL 5347 28.900 48.930 46.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17619 ATOM 17615 OW SOL 5348 35.580 54.090 47.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17620 ATOM 17616 HW1 SOL 5348 35.740 54.610 46.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17621 ATOM 17617 HW2 SOL 5348 35.230 53.180 47.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17622 ATOM 17618 OW SOL 5349 32.070 55.230 46.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17623 ATOM 17619 HW1 SOL 5349 31.110 54.940 46.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17624 ATOM 17620 HW2 SOL 5349 32.440 54.980 47.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17625 ATOM 17621 OW SOL 5350 19.440 48.540 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17626 ATOM 17622 HW1 SOL 5350 20.150 49.220 50.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17627 ATOM 17623 HW2 SOL 5350 19.250 48.520 48.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17628 ATOM 17624 OW SOL 5351 26.000 54.120 54.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17629 ATOM 17625 HW1 SOL 5351 25.780 54.680 53.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17630 ATOM 17626 HW2 SOL 5351 25.600 54.530 55.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17631 ATOM 17627 OW SOL 5352 16.460 55.390 55.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17632 ATOM 17628 HW1 SOL 5352 15.530 55.320 55.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17633 ATOM 17629 HW2 SOL 5352 16.760 54.500 56.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17634 ATOM 17630 OW SOL 5353 25.460 50.360 48.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17635 ATOM 17631 HW1 SOL 5353 26.160 50.950 49.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17636 ATOM 17632 HW2 SOL 5353 24.560 50.780 48.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17637 ATOM 17633 OW SOL 5354 23.250 54.540 40.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17638 ATOM 17634 HW1 SOL 5354 22.690 54.870 40.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17639 ATOM 17635 HW2 SOL 5354 23.270 53.540 40.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17640 ATOM 17636 OW SOL 5355 34.290 55.660 50.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17641 ATOM 17637 HW1 SOL 5355 34.730 55.150 49.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17642 ATOM 17638 HW2 SOL 5355 34.680 56.570 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17643 ATOM 17639 OW SOL 5356 20.630 39.850 43.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17644 ATOM 17640 HW1 SOL 5356 19.670 39.560 43.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17645 ATOM 17641 HW2 SOL 5356 20.800 40.240 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17646 ATOM 17642 OW SOL 5357 27.280 47.600 49.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17647 ATOM 17643 HW1 SOL 5357 28.220 47.580 48.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17648 ATOM 17644 HW2 SOL 5357 26.730 48.190 48.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17649 ATOM 17645 OW SOL 5358 25.790 43.850 38.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17650 ATOM 17646 HW1 SOL 5358 25.190 43.390 37.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17651 ATOM 17647 HW2 SOL 5358 26.510 44.340 37.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17652 ATOM 17648 OW SOL 5359 22.670 52.330 53.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17653 ATOM 17649 HW1 SOL 5359 22.300 53.230 52.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17654 ATOM 17650 HW2 SOL 5359 21.930 51.740 53.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17655 ATOM 17651 OW SOL 5360 32.260 51.600 47.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17656 ATOM 17652 HW1 SOL 5360 31.600 51.160 47.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17657 ATOM 17653 HW2 SOL 5360 31.780 52.260 46.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17658 ATOM 17654 OW SOL 5361 28.020 46.960 42.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17659 ATOM 17655 HW1 SOL 5361 27.390 46.510 42.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17660 ATOM 17656 HW2 SOL 5361 28.430 46.280 43.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17661 ATOM 17657 OW SOL 5362 22.220 51.630 40.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17662 ATOM 17658 HW1 SOL 5362 21.800 50.720 40.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17663 ATOM 17659 HW2 SOL 5362 21.620 52.230 40.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17664 ATOM 17660 OW SOL 5363 18.440 50.000 41.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17665 ATOM 17661 HW1 SOL 5363 18.100 49.260 40.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17666 ATOM 17662 HW2 SOL 5363 18.020 50.860 40.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17667 ATOM 17663 OW SOL 5364 20.010 48.470 55.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17668 ATOM 17664 HW1 SOL 5364 19.280 47.800 54.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17669 ATOM 17665 HW2 SOL 5364 20.800 48.000 55.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17670 ATOM 17666 OW SOL 5365 25.030 39.360 50.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17671 ATOM 17667 HW1 SOL 5365 24.960 40.310 50.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17672 ATOM 17668 HW2 SOL 5365 25.840 38.940 50.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17673 ATOM 17669 OW SOL 5366 21.480 40.650 36.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17674 ATOM 17670 HW1 SOL 5366 20.900 40.110 36.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17675 ATOM 17671 HW2 SOL 5366 21.280 41.620 36.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17676 ATOM 17672 OW SOL 5367 31.240 45.860 51.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17677 ATOM 17673 HW1 SOL 5367 30.510 45.850 51.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17678 ATOM 17674 HW2 SOL 5367 30.880 46.200 50.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17679 ATOM 17675 OW SOL 5368 19.000 37.780 39.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17680 ATOM 17676 HW1 SOL 5368 18.610 37.280 39.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17681 ATOM 17677 HW2 SOL 5368 19.990 37.860 39.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17682 ATOM 17678 OW SOL 5369 23.960 46.410 51.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17683 ATOM 17679 HW1 SOL 5369 24.660 46.780 51.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17684 ATOM 17680 HW2 SOL 5369 24.000 45.410 51.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17685 ATOM 17681 OW SOL 5370 32.520 53.930 43.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17686 ATOM 17682 HW1 SOL 5370 33.500 53.850 43.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17687 ATOM 17683 HW2 SOL 5370 32.340 54.810 44.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17688 ATOM 17684 OW SOL 5371 23.330 40.850 52.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17689 ATOM 17685 HW1 SOL 5371 22.860 40.710 53.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17690 ATOM 17686 HW2 SOL 5371 24.270 41.120 52.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17691 ATOM 17687 OW SOL 5372 32.530 49.180 50.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17692 ATOM 17688 HW1 SOL 5372 32.640 49.000 51.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17693 ATOM 17689 HW2 SOL 5372 33.380 48.960 50.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17694 ATOM 17690 OW SOL 5373 20.900 55.230 54.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17695 ATOM 17691 HW1 SOL 5373 20.190 55.840 54.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17696 ATOM 17692 HW2 SOL 5373 20.480 54.390 54.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17697 ATOM 17693 OW SOL 5374 26.770 42.140 40.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17698 ATOM 17694 HW1 SOL 5374 27.710 42.390 40.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17699 ATOM 17695 HW2 SOL 5374 26.130 42.600 40.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17700 ATOM 17696 OW SOL 5375 35.830 39.850 54.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17701 ATOM 17697 HW1 SOL 5375 35.150 40.390 54.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17702 ATOM 17698 HW2 SOL 5375 35.410 39.440 55.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17703 ATOM 17699 OW SOL 5376 35.660 46.010 49.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17704 ATOM 17700 HW1 SOL 5376 35.120 45.980 50.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17705 ATOM 17701 HW2 SOL 5376 35.050 45.930 49.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17706 ATOM 17702 OW SOL 5377 23.550 55.930 46.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17707 ATOM 17703 HW1 SOL 5377 23.310 56.860 45.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17708 ATOM 17704 HW2 SOL 5377 23.900 55.420 45.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17709 ATOM 17705 OW SOL 5378 26.840 46.390 45.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17710 ATOM 17706 HW1 SOL 5378 27.620 45.920 45.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17711 ATOM 17707 HW2 SOL 5378 27.170 47.190 45.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17712 ATOM 17708 OW SOL 5379 34.510 51.230 44.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17713 ATOM 17709 HW1 SOL 5379 34.230 50.430 44.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17714 ATOM 17710 HW2 SOL 5379 33.830 51.380 45.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17715 ATOM 17711 OW SOL 5380 20.800 50.670 56.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17716 ATOM 17712 HW1 SOL 5380 20.340 49.890 56.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17717 ATOM 17713 HW2 SOL 5380 20.770 50.570 57.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17718 ATOM 17714 OW SOL 5381 18.560 49.960 44.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17719 ATOM 17715 HW1 SOL 5381 19.260 49.460 44.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17720 ATOM 17716 HW2 SOL 5381 18.770 49.920 43.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17721 ATOM 17717 OW SOL 5382 26.640 52.220 50.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17722 ATOM 17718 HW1 SOL 5382 26.330 51.850 51.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17723 ATOM 17719 HW2 SOL 5382 26.690 53.220 50.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17724 ATOM 17720 OW SOL 5383 20.300 38.090 41.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17725 ATOM 17721 HW1 SOL 5383 20.660 38.640 40.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17726 ATOM 17722 HW2 SOL 5383 20.100 38.690 42.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17727 ATOM 17723 OW SOL 5384 34.830 51.230 48.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17728 ATOM 17724 HW1 SOL 5384 34.820 50.320 48.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17729 ATOM 17725 HW2 SOL 5384 33.890 51.500 47.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17730 ATOM 17726 OW SOL 5385 22.070 44.330 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17731 ATOM 17727 HW1 SOL 5385 22.230 43.880 50.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17732 ATOM 17728 HW2 SOL 5385 22.250 43.690 48.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17733 ATOM 17729 OW SOL 5386 24.600 54.290 44.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17734 ATOM 17730 HW1 SOL 5386 25.470 54.090 43.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17735 ATOM 17731 HW2 SOL 5386 24.040 54.880 43.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17736 ATOM 17732 OW SOL 5387 26.930 38.450 51.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17737 ATOM 17733 HW1 SOL 5387 26.990 39.090 52.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17738 ATOM 17734 HW2 SOL 5387 27.770 38.500 51.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17739 ATOM 17735 OW SOL 5388 23.700 54.320 50.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17740 ATOM 17736 HW1 SOL 5388 24.450 54.430 50.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17741 ATOM 17737 HW2 SOL 5388 23.760 55.040 49.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17742 ATOM 17738 OW SOL 5389 15.820 47.510 40.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17743 ATOM 17739 HW1 SOL 5389 15.920 47.850 41.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17744 ATOM 17740 HW2 SOL 5389 16.650 47.020 40.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17745 ATOM 17741 OW SOL 5390 26.650 54.260 42.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17746 ATOM 17742 HW1 SOL 5390 26.270 53.380 42.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17747 ATOM 17743 HW2 SOL 5390 27.130 54.690 41.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17748 ATOM 17744 OW SOL 5391 19.170 45.180 58.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17749 ATOM 17745 HW1 SOL 5391 18.310 44.720 58.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17750 ATOM 17746 HW2 SOL 5391 19.360 45.070 57.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17751 ATOM 17747 OW SOL 5392 19.550 40.810 64.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17752 ATOM 17748 HW1 SOL 5392 20.400 40.270 64.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17753 ATOM 17749 HW2 SOL 5392 18.800 40.250 64.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17754 ATOM 17750 OW SOL 5393 16.750 40.940 61.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17755 ATOM 17751 HW1 SOL 5393 16.090 41.180 61.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17756 ATOM 17752 HW2 SOL 5393 16.340 40.280 60.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17757 ATOM 17753 OW SOL 5394 22.540 51.520 69.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17758 ATOM 17754 HW1 SOL 5394 21.910 51.820 68.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17759 ATOM 17755 HW2 SOL 5394 23.410 51.270 68.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17760 ATOM 17756 OW SOL 5395 33.020 53.590 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17761 ATOM 17757 HW1 SOL 5395 32.900 53.170 62.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17762 ATOM 17758 HW2 SOL 5395 32.320 54.290 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17763 ATOM 17759 OW SOL 5396 28.820 44.350 60.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17764 ATOM 17760 HW1 SOL 5396 29.490 44.950 60.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17765 ATOM 17761 HW2 SOL 5396 28.900 43.430 60.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17766 ATOM 17762 OW SOL 5397 37.500 43.410 56.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17767 ATOM 17763 HW1 SOL 5397 37.650 42.940 55.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17768 ATOM 17764 HW2 SOL 5397 36.520 43.530 56.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17769 ATOM 17765 OW SOL 5398 24.860 47.780 64.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17770 ATOM 17766 HW1 SOL 5398 24.140 48.250 65.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17771 ATOM 17767 HW2 SOL 5398 25.290 48.420 64.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17772 ATOM 17768 OW SOL 5399 26.630 45.220 2.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17773 ATOM 17769 HW1 SOL 5399 26.220 45.020 3.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17774 ATOM 17770 HW2 SOL 5399 27.570 45.550 2.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17775 ATOM 17771 OW SOL 5400 26.170 44.570 60.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17776 ATOM 17772 HW1 SOL 5400 27.160 44.440 60.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17777 ATOM 17773 HW2 SOL 5400 25.950 45.130 61.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17778 ATOM 17774 OW SOL 5401 20.960 52.530 66.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17779 ATOM 17775 HW1 SOL 5401 20.240 52.750 67.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17780 ATOM 17776 HW2 SOL 5401 20.560 52.030 66.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17781 ATOM 17777 OW SOL 5402 31.310 52.660 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17782 ATOM 17778 HW1 SOL 5402 31.710 53.500 67.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17783 ATOM 17779 HW2 SOL 5402 30.720 52.230 68.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17784 ATOM 17780 OW SOL 5403 23.010 41.160 69.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17785 ATOM 17781 HW1 SOL 5403 23.920 41.310 70.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17786 ATOM 17782 HW2 SOL 5403 22.430 40.730 70.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17787 ATOM 17783 OW SOL 5404 33.940 40.930 60.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17788 ATOM 17784 HW1 SOL 5404 33.360 40.170 60.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17789 ATOM 17785 HW2 SOL 5404 33.580 41.790 60.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17790 ATOM 17786 OW SOL 5405 20.520 53.940 59.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17791 ATOM 17787 HW1 SOL 5405 20.860 54.650 60.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17792 ATOM 17788 HW2 SOL 5405 20.960 54.050 59.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17793 ATOM 17789 OW SOL 5406 20.380 51.330 60.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17794 ATOM 17790 HW1 SOL 5406 20.200 52.260 60.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17795 ATOM 17791 HW2 SOL 5406 20.300 51.300 61.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17796 ATOM 17792 OW SOL 5407 22.880 49.060 65.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17797 ATOM 17793 HW1 SOL 5407 22.380 48.270 66.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17798 ATOM 17794 HW2 SOL 5407 22.270 49.850 65.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17799 ATOM 17795 OW SOL 5408 22.820 55.410 69.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17800 ATOM 17796 HW1 SOL 5408 23.540 56.100 70.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17801 ATOM 17797 HW2 SOL 5408 22.750 55.210 68.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17802 ATOM 17798 OW SOL 5409 24.520 46.870 54.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17803 ATOM 17799 HW1 SOL 5409 24.550 47.560 54.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17804 ATOM 17800 HW2 SOL 5409 25.450 46.600 54.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17805 ATOM 17801 OW SOL 5410 32.600 36.540 64.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17806 ATOM 17802 HW1 SOL 5410 32.210 35.650 64.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17807 ATOM 17803 HW2 SOL 5410 32.830 37.060 63.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17808 ATOM 17804 OW SOL 5411 18.260 44.970 64.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17809 ATOM 17805 HW1 SOL 5411 18.270 44.340 63.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17810 ATOM 17806 HW2 SOL 5411 18.930 44.670 65.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17811 ATOM 17807 OW SOL 5412 37.180 53.250 59.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17812 ATOM 17808 HW1 SOL 5412 37.840 52.670 59.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17813 ATOM 17809 HW2 SOL 5412 36.740 53.860 59.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17814 ATOM 17810 OW SOL 5413 17.220 53.330 57.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17815 ATOM 17811 HW1 SOL 5413 17.010 52.360 57.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17816 ATOM 17812 HW2 SOL 5413 17.320 53.580 58.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17817 ATOM 17813 OW SOL 5414 35.540 45.010 60.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17818 ATOM 17814 HW1 SOL 5414 35.690 44.100 61.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17819 ATOM 17815 HW2 SOL 5414 36.420 45.490 60.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17820 ATOM 17816 OW SOL 5415 34.760 48.200 58.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17821 ATOM 17817 HW1 SOL 5415 35.070 48.850 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17822 ATOM 17818 HW2 SOL 5415 35.030 48.520 59.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17823 ATOM 17819 OW SOL 5416 19.470 46.610 71.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17824 ATOM 17820 HW1 SOL 5416 19.080 46.470 71.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17825 ATOM 17821 HW2 SOL 5416 18.880 47.240 70.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17826 ATOM 17822 OW SOL 5417 23.040 49.410 62.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17827 ATOM 17823 HW1 SOL 5417 22.430 48.620 62.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17828 ATOM 17824 HW2 SOL 5417 22.740 49.970 61.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17829 ATOM 17825 OW SOL 5418 29.230 47.260 70.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17830 ATOM 17826 HW1 SOL 5418 29.880 47.980 69.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17831 ATOM 17827 HW2 SOL 5418 29.700 46.380 70.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17832 ATOM 17828 OW SOL 5419 24.910 38.600 60.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17833 ATOM 17829 HW1 SOL 5419 25.430 39.230 60.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17834 ATOM 17830 HW2 SOL 5419 24.220 39.110 61.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17835 ATOM 17831 OW SOL 5420 22.180 47.480 70.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17836 ATOM 17832 HW1 SOL 5420 22.630 46.730 69.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17837 ATOM 17833 HW2 SOL 5420 21.230 47.230 70.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17838 ATOM 17834 OW SOL 5421 36.840 46.650 57.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17839 ATOM 17835 HW1 SOL 5421 37.420 46.270 58.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17840 ATOM 17836 HW2 SOL 5421 35.960 46.930 57.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17841 ATOM 17837 OW SOL 5422 29.610 55.780 70.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17842 ATOM 17838 HW1 SOL 5422 30.490 55.320 70.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17843 ATOM 17839 HW2 SOL 5422 29.050 55.600 70.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17844 ATOM 17840 OW SOL 5423 22.380 39.940 1.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17845 ATOM 17841 HW1 SOL 5423 22.630 40.910 1.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17846 ATOM 17842 HW2 SOL 5423 21.620 39.730 0.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17847 ATOM 17843 OW SOL 5424 30.640 54.780 62.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17848 ATOM 17844 HW1 SOL 5424 30.330 53.860 62.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17849 ATOM 17845 HW2 SOL 5424 29.860 55.390 62.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17850 ATOM 17846 OW SOL 5425 35.650 54.460 61.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17851 ATOM 17847 HW1 SOL 5425 36.170 53.960 61.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17852 ATOM 17848 HW2 SOL 5425 34.720 54.100 61.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17853 ATOM 17849 OW SOL 5426 23.300 45.420 58.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17854 ATOM 17850 HW1 SOL 5426 24.100 45.850 57.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17855 ATOM 17851 HW2 SOL 5426 23.280 45.640 59.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17856 ATOM 17852 OW SOL 5427 31.080 42.980 63.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17857 ATOM 17853 HW1 SOL 5427 30.610 42.100 63.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17858 ATOM 17854 HW2 SOL 5427 32.070 42.840 63.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17859 ATOM 17855 OW SOL 5428 34.900 53.030 57.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17860 ATOM 17856 HW1 SOL 5428 35.860 53.170 57.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17861 ATOM 17857 HW2 SOL 5428 34.810 53.070 56.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17862 ATOM 17858 OW SOL 5429 28.120 42.040 69.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17863 ATOM 17859 HW1 SOL 5429 27.450 41.600 69.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17864 ATOM 17860 HW2 SOL 5429 27.750 42.110 68.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17865 ATOM 17861 OW SOL 5430 30.770 45.150 70.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17866 ATOM 17862 HW1 SOL 5430 30.680 44.150 70.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17867 ATOM 17863 HW2 SOL 5430 31.600 45.380 69.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17868 ATOM 17864 OW SOL 5431 29.600 41.520 66.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17869 ATOM 17865 HW1 SOL 5431 28.730 42.020 66.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17870 ATOM 17866 HW2 SOL 5431 29.680 41.110 65.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17871 ATOM 17867 OW SOL 5432 28.110 44.000 57.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17872 ATOM 17868 HW1 SOL 5432 28.390 44.040 58.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17873 ATOM 17869 HW2 SOL 5432 27.910 43.050 57.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17874 ATOM 17870 OW SOL 5433 21.450 45.180 64.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17875 ATOM 17871 HW1 SOL 5433 21.260 44.480 63.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17876 ATOM 17872 HW2 SOL 5433 21.010 46.040 63.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17877 ATOM 17873 OW SOL 5434 16.150 57.440 0.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17878 ATOM 17874 HW1 SOL 5434 16.510 58.240 0.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17879 ATOM 17875 HW2 SOL 5434 15.990 57.680 1.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17880 ATOM 17876 OW SOL 5435 27.790 41.210 56.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17881 ATOM 17877 HW1 SOL 5435 28.590 41.220 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17882 ATOM 17878 HW2 SOL 5435 27.090 40.610 56.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17883 ATOM 17879 OW SOL 5436 29.930 47.920 59.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17884 ATOM 17880 HW1 SOL 5436 30.790 48.060 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17885 ATOM 17881 HW2 SOL 5436 29.470 48.790 59.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17886 ATOM 17882 OW SOL 5437 21.980 39.730 64.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17887 ATOM 17883 HW1 SOL 5437 22.390 39.900 65.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17888 ATOM 17884 HW2 SOL 5437 22.620 40.020 63.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17889 ATOM 17885 OW SOL 5438 28.210 50.160 60.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17890 ATOM 17886 HW1 SOL 5438 27.560 50.920 60.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17891 ATOM 17887 HW2 SOL 5438 28.030 49.550 60.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17892 ATOM 17888 OW SOL 5439 21.990 54.030 63.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17893 ATOM 17889 HW1 SOL 5439 22.190 53.060 63.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17894 ATOM 17890 HW2 SOL 5439 22.830 54.540 64.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17895 ATOM 17891 OW SOL 5440 36.110 48.390 64.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17896 ATOM 17892 HW1 SOL 5440 36.810 48.120 65.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17897 ATOM 17893 HW2 SOL 5440 35.230 48.470 65.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17898 ATOM 17894 OW SOL 5441 28.910 51.930 69.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17899 ATOM 17895 HW1 SOL 5441 28.640 50.970 69.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17900 ATOM 17896 HW2 SOL 5441 28.090 52.510 69.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17901 ATOM 17897 OW SOL 5442 20.060 47.090 60.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17902 ATOM 17898 HW1 SOL 5442 20.080 47.940 59.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17903 ATOM 17899 HW2 SOL 5442 19.600 46.380 59.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17904 ATOM 17900 OW SOL 5443 33.370 46.450 61.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17905 ATOM 17901 HW1 SOL 5443 33.780 46.300 62.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17906 ATOM 17902 HW2 SOL 5443 34.050 46.290 61.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17907 ATOM 17903 OW SOL 5444 25.480 49.870 72.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17908 ATOM 17904 HW1 SOL 5444 25.280 49.430 71.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17909 ATOM 17905 HW2 SOL 5444 25.260 49.240 73.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17910 ATOM 17906 OW SOL 5445 31.500 55.140 55.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17911 ATOM 17907 HW1 SOL 5445 31.250 55.750 54.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17912 ATOM 17908 HW2 SOL 5445 30.920 54.320 55.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17913 ATOM 17909 OW SOL 5446 21.290 39.360 71.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17914 ATOM 17910 HW1 SOL 5446 20.300 39.480 71.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17915 ATOM 17911 HW2 SOL 5446 21.510 38.430 71.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17916 ATOM 17912 OW SOL 5447 34.120 51.200 53.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17917 ATOM 17913 HW1 SOL 5447 33.930 52.020 54.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17918 ATOM 17914 HW2 SOL 5447 34.800 51.430 53.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17919 ATOM 17915 OW SOL 5448 21.640 54.750 57.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17920 ATOM 17916 HW1 SOL 5448 22.460 54.800 58.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17921 ATOM 17917 HW2 SOL 5448 21.850 54.290 56.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17922 ATOM 17918 OW SOL 5449 32.380 38.990 59.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17923 ATOM 17919 HW1 SOL 5449 33.060 38.270 59.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17924 ATOM 17920 HW2 SOL 5449 31.540 38.610 60.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17925 ATOM 17921 OW SOL 5450 20.670 57.050 67.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17926 ATOM 17922 HW1 SOL 5450 21.150 56.180 67.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17927 ATOM 17923 HW2 SOL 5450 19.780 56.990 67.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17928 ATOM 17924 OW SOL 5451 27.650 53.870 63.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17929 ATOM 17925 HW1 SOL 5451 28.280 53.560 64.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17930 ATOM 17926 HW2 SOL 5451 27.450 53.110 62.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17931 ATOM 17927 OW SOL 5452 22.550 45.710 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17932 ATOM 17928 HW1 SOL 5452 22.170 44.880 61.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17933 ATOM 17929 HW2 SOL 5452 21.830 46.390 60.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17934 ATOM 17930 OW SOL 5453 24.100 38.550 55.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17935 ATOM 17931 HW1 SOL 5453 24.090 38.300 56.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17936 ATOM 17932 HW2 SOL 5453 23.390 39.230 54.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17937 ATOM 17933 OW SOL 5454 26.190 38.200 70.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17938 ATOM 17934 HW1 SOL 5454 25.570 38.010 71.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17939 ATOM 17935 HW2 SOL 5454 25.800 38.910 69.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17940 ATOM 17936 OW SOL 5455 24.590 51.010 67.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17941 ATOM 17937 HW1 SOL 5455 24.950 51.630 66.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17942 ATOM 17938 HW2 SOL 5455 24.010 50.330 66.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17943 ATOM 17939 OW SOL 5456 33.020 45.950 69.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17944 ATOM 17940 HW1 SOL 5456 33.310 46.850 68.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17945 ATOM 17941 HW2 SOL 5456 33.480 45.750 69.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17946 ATOM 17942 OW SOL 5457 25.510 49.860 63.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17947 ATOM 17943 HW1 SOL 5457 25.940 50.170 62.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17948 ATOM 17944 HW2 SOL 5457 24.520 49.780 62.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17949 ATOM 17945 OW SOL 5458 28.130 43.660 63.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17950 ATOM 17946 HW1 SOL 5458 28.040 43.220 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17951 ATOM 17947 HW2 SOL 5458 29.100 43.700 64.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17952 ATOM 17948 OW SOL 5459 23.310 40.550 62.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17953 ATOM 17949 HW1 SOL 5459 23.810 41.380 62.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17954 ATOM 17950 HW2 SOL 5459 22.550 40.760 61.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17955 ATOM 17951 OW SOL 5460 31.510 50.000 53.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17956 ATOM 17952 HW1 SOL 5460 32.400 50.360 53.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17957 ATOM 17953 HW2 SOL 5460 31.320 49.170 54.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17958 ATOM 17954 OW SOL 5461 21.650 39.410 58.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17959 ATOM 17955 HW1 SOL 5461 21.640 40.290 57.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17960 ATOM 17956 HW2 SOL 5461 22.260 38.790 57.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17961 ATOM 17957 OW SOL 5462 26.440 40.460 59.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17962 ATOM 17958 HW1 SOL 5462 25.590 40.990 59.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17963 ATOM 17959 HW2 SOL 5462 26.930 40.720 58.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17964 ATOM 17960 OW SOL 5463 30.460 42.470 70.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17965 ATOM 17961 HW1 SOL 5463 29.590 42.270 70.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17966 ATOM 17962 HW2 SOL 5463 30.750 41.680 71.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17967 ATOM 17963 OW SOL 5464 30.350 52.790 59.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17968 ATOM 17964 HW1 SOL 5464 29.570 52.900 59.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17969 ATOM 17965 HW2 SOL 5464 31.100 53.370 59.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17970 ATOM 17966 OW SOL 5465 25.000 45.980 62.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17971 ATOM 17967 HW1 SOL 5465 24.830 46.240 63.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17972 ATOM 17968 HW2 SOL 5465 24.260 46.320 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17973 ATOM 17969 OW SOL 5466 30.310 56.220 58.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17974 ATOM 17970 HW1 SOL 5466 30.630 57.170 59.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17975 ATOM 17971 HW2 SOL 5466 29.450 56.140 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17976 ATOM 17972 OW SOL 5467 28.230 42.170 53.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17977 ATOM 17973 HW1 SOL 5467 28.250 42.990 53.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17978 ATOM 17974 HW2 SOL 5467 29.040 42.150 54.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17979 ATOM 17975 OW SOL 5468 19.440 43.920 69.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17980 ATOM 17976 HW1 SOL 5468 20.280 43.860 69.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17981 ATOM 17977 HW2 SOL 5468 19.350 44.860 70.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17982 ATOM 17978 OW SOL 5469 25.520 39.420 66.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17983 ATOM 17979 HW1 SOL 5469 25.960 38.680 66.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17984 ATOM 17980 HW2 SOL 5469 24.610 39.580 66.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17985 ATOM 17981 OW SOL 5470 27.530 42.270 61.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17986 ATOM 17982 HW1 SOL 5470 26.540 42.190 62.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17987 ATOM 17983 HW2 SOL 5470 27.900 41.370 61.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17988 ATOM 17984 OW SOL 5471 28.230 39.670 61.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17989 ATOM 17985 HW1 SOL 5471 27.660 39.690 60.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17990 ATOM 17986 HW2 SOL 5471 28.840 38.880 61.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17991 ATOM 17987 OW SOL 5472 32.170 49.080 61.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17992 ATOM 17988 HW1 SOL 5472 32.410 48.130 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17993 ATOM 17989 HW2 SOL 5472 31.650 49.450 60.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17994 ATOM 17990 OW SOL 5473 33.960 45.630 64.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17995 ATOM 17991 HW1 SOL 5473 33.240 45.470 64.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17996 ATOM 17992 HW2 SOL 5473 34.850 45.430 64.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17997 ATOM 17993 OW SOL 5474 38.270 45.240 59.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17998 ATOM 17994 HW1 SOL 5474 38.390 44.620 59.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
17999 ATOM 17995 HW2 SOL 5474 38.130 44.710 58.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18000 ATOM 17996 OW SOL 5475 24.170 50.710 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18001 ATOM 17997 HW1 SOL 5475 23.780 50.100 56.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18002 ATOM 17998 HW2 SOL 5475 25.060 50.360 57.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18003 ATOM 17999 OW SOL 5476 35.170 49.660 61.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18004 ATOM 18000 HW1 SOL 5476 35.300 50.050 62.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18005 ATOM 18001 HW2 SOL 5476 34.960 50.400 60.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18006 ATOM 18002 OW SOL 5477 32.480 43.200 55.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18007 ATOM 18003 HW1 SOL 5477 32.070 43.990 56.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18008 ATOM 18004 HW2 SOL 5477 33.260 42.880 56.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18009 ATOM 18005 OW SOL 5478 21.590 41.360 60.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18010 ATOM 18006 HW1 SOL 5478 21.750 40.500 59.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18011 ATOM 18007 HW2 SOL 5478 21.530 42.110 59.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18012 ATOM 18008 OW SOL 5479 34.370 48.410 69.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18013 ATOM 18009 HW1 SOL 5479 35.290 48.740 69.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18014 ATOM 18010 HW2 SOL 5479 33.710 49.140 69.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18015 ATOM 18011 OW SOL 5480 27.640 49.430 69.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18016 ATOM 18012 HW1 SOL 5480 26.680 49.250 69.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18017 ATOM 18013 HW2 SOL 5480 28.090 48.580 69.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18018 ATOM 18014 OW SOL 5481 28.120 49.780 65.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18019 ATOM 18015 HW1 SOL 5481 27.640 49.930 66.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18020 ATOM 18016 HW2 SOL 5481 27.870 48.890 65.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18021 ATOM 18017 OW SOL 5482 33.820 48.080 66.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18022 ATOM 18018 HW1 SOL 5482 33.760 48.960 66.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18023 ATOM 18019 HW2 SOL 5482 33.140 48.030 65.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18024 ATOM 18020 OW SOL 5483 28.840 36.660 67.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18025 ATOM 18021 HW1 SOL 5483 29.240 36.970 66.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18026 ATOM 18022 HW2 SOL 5483 29.000 37.350 67.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18027 ATOM 18023 OW SOL 5484 25.780 46.560 58.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18028 ATOM 18024 HW1 SOL 5484 26.000 45.830 58.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18029 ATOM 18025 HW2 SOL 5484 26.200 46.340 57.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18030 ATOM 18026 OW SOL 5485 23.640 45.630 68.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18031 ATOM 18027 HW1 SOL 5485 24.540 45.540 69.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18032 ATOM 18028 HW2 SOL 5485 23.220 44.720 68.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18033 ATOM 18029 OW SOL 5486 31.410 42.690 67.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18034 ATOM 18030 HW1 SOL 5486 31.080 42.670 68.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18035 ATOM 18031 HW2 SOL 5486 30.770 42.200 67.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18036 ATOM 18032 OW SOL 5487 19.510 53.180 69.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18037 ATOM 18033 HW1 SOL 5487 18.640 53.670 69.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18038 ATOM 18034 HW2 SOL 5487 19.910 53.380 70.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18039 ATOM 18035 OW SOL 5488 20.770 47.690 62.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18040 ATOM 18036 HW1 SOL 5488 20.030 48.050 63.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18041 ATOM 18037 HW2 SOL 5488 20.430 47.550 61.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18042 ATOM 18038 OW SOL 5489 24.690 42.760 62.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18043 ATOM 18039 HW1 SOL 5489 24.700 43.620 61.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18044 ATOM 18040 HW2 SOL 5489 24.820 42.950 63.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18045 ATOM 18041 OW SOL 5490 32.000 50.780 59.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18046 ATOM 18042 HW1 SOL 5490 32.970 50.940 59.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18047 ATOM 18043 HW2 SOL 5490 31.580 51.600 59.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18048 ATOM 18044 OW SOL 5491 29.470 52.530 65.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18049 ATOM 18045 HW1 SOL 5491 30.310 52.400 65.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18050 ATOM 18046 HW2 SOL 5491 28.990 51.660 65.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18051 ATOM 18047 OW SOL 5492 33.400 43.760 59.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18052 ATOM 18048 HW1 SOL 5492 32.530 44.160 60.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18053 ATOM 18049 HW2 SOL 5492 34.150 44.250 60.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18054 ATOM 18050 OW SOL 5493 22.420 54.890 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18055 ATOM 18051 HW1 SOL 5493 21.940 54.010 67.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18056 ATOM 18052 HW2 SOL 5493 23.180 54.860 66.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18057 ATOM 18053 OW SOL 5494 24.700 45.450 72.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18058 ATOM 18054 HW1 SOL 5494 25.350 44.860 72.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18059 ATOM 18055 HW2 SOL 5494 24.990 45.570 71.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18060 ATOM 18056 OW SOL 5495 35.620 43.030 72.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18061 ATOM 18057 HW1 SOL 5495 35.520 42.090 71.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18062 ATOM 18058 HW2 SOL 5495 35.870 43.630 71.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18063 ATOM 18059 OW SOL 5496 25.100 45.750 66.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18064 ATOM 18060 HW1 SOL 5496 25.130 46.600 65.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18065 ATOM 18061 HW2 SOL 5496 24.550 45.880 67.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18066 ATOM 18062 OW SOL 5497 31.820 48.160 64.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18067 ATOM 18063 HW1 SOL 5497 32.100 48.530 63.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18068 ATOM 18064 HW2 SOL 5497 31.200 47.390 64.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18069 ATOM 18065 OW SOL 5498 30.160 41.580 55.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18070 ATOM 18066 HW1 SOL 5498 30.380 40.600 55.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18071 ATOM 18067 HW2 SOL 5498 31.010 42.110 55.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18072 ATOM 18068 OW SOL 5499 23.170 39.680 67.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18073 ATOM 18069 HW1 SOL 5499 23.150 40.260 68.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18074 ATOM 18070 HW2 SOL 5499 22.680 38.830 67.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18075 ATOM 18071 OW SOL 5500 18.700 50.440 68.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18076 ATOM 18072 HW1 SOL 5500 18.470 49.670 69.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18077 ATOM 18073 HW2 SOL 5500 19.080 51.180 69.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18078 ATOM 18074 OW SOL 5501 25.480 43.540 65.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18079 ATOM 18075 HW1 SOL 5501 26.290 43.650 64.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18080 ATOM 18076 HW2 SOL 5501 25.500 44.230 65.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18081 ATOM 18077 OW SOL 5502 19.230 39.480 61.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18082 ATOM 18078 HW1 SOL 5502 18.270 39.790 61.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18083 ATOM 18079 HW2 SOL 5502 19.830 40.230 61.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18084 ATOM 18080 OW SOL 5503 34.710 42.650 57.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18085 ATOM 18081 HW1 SOL 5503 34.990 41.700 57.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18086 ATOM 18082 HW2 SOL 5503 34.350 43.020 58.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18087 ATOM 18083 OW SOL 5504 30.140 46.000 64.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18088 ATOM 18084 HW1 SOL 5504 30.630 45.590 64.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18089 ATOM 18085 HW2 SOL 5504 30.410 45.560 63.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18090 ATOM 18086 OW SOL 5505 33.960 53.140 69.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18091 ATOM 18087 HW1 SOL 5505 34.240 53.000 68.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18092 ATOM 18088 HW2 SOL 5505 33.700 52.270 69.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18093 ATOM 18089 OW SOL 5506 32.790 38.920 56.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18094 ATOM 18090 HW1 SOL 5506 32.230 38.300 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18095 ATOM 18091 HW2 SOL 5506 33.600 39.190 57.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18096 ATOM 18092 OW SOL 5507 32.290 47.810 58.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18097 ATOM 18093 HW1 SOL 5507 32.210 46.820 57.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18098 ATOM 18094 HW2 SOL 5507 33.140 48.040 58.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18099 ATOM 18095 OW SOL 5508 29.500 51.880 62.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18100 ATOM 18096 HW1 SOL 5508 29.090 50.970 62.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18101 ATOM 18097 HW2 SOL 5508 29.750 52.000 61.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18102 ATOM 18098 OW SOL 5509 21.820 46.280 66.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18103 ATOM 18099 HW1 SOL 5509 22.410 45.720 67.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18104 ATOM 18100 HW2 SOL 5509 21.760 45.880 65.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18105 ATOM 18101 OW SOL 5510 22.870 43.570 65.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18106 ATOM 18102 HW1 SOL 5510 22.360 44.140 65.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18107 ATOM 18103 HW2 SOL 5510 23.820 43.470 65.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18108 ATOM 18104 OW SOL 5511 28.990 39.370 68.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18109 ATOM 18105 HW1 SOL 5511 28.950 39.870 69.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18110 ATOM 18106 HW2 SOL 5511 29.410 39.940 67.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18111 ATOM 18107 OW SOL 5512 16.850 50.380 57.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18112 ATOM 18108 HW1 SOL 5512 16.430 50.430 56.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18113 ATOM 18109 HW2 SOL 5512 16.240 49.880 58.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18114 ATOM 18110 OW SOL 5513 19.560 54.980 65.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18115 ATOM 18111 HW1 SOL 5513 18.990 54.410 64.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18116 ATOM 18112 HW2 SOL 5513 20.520 54.710 65.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18117 ATOM 18113 OW SOL 5514 22.950 51.450 64.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18118 ATOM 18114 HW1 SOL 5514 23.850 51.850 64.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18119 ATOM 18115 HW2 SOL 5514 22.900 50.550 64.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18120 ATOM 18116 OW SOL 5515 31.750 45.180 66.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18121 ATOM 18117 HW1 SOL 5515 31.890 45.800 66.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18122 ATOM 18118 HW2 SOL 5515 31.660 44.240 66.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18123 ATOM 18119 OW SOL 5516 19.940 43.090 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18124 ATOM 18120 HW1 SOL 5516 20.840 43.500 65.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18125 ATOM 18121 HW2 SOL 5516 20.050 42.210 65.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18126 ATOM 18122 OW SOL 5517 24.620 42.560 55.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18127 ATOM 18123 HW1 SOL 5517 25.050 42.080 54.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18128 ATOM 18124 HW2 SOL 5517 24.390 43.490 55.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18129 ATOM 18125 OW SOL 5518 35.740 44.560 65.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18130 ATOM 18126 HW1 SOL 5518 35.100 43.860 66.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18131 ATOM 18127 HW2 SOL 5518 36.600 44.120 65.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18132 ATOM 18128 OW SOL 5519 19.820 54.000 71.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18133 ATOM 18129 HW1 SOL 5519 19.530 53.680 72.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18134 ATOM 18130 HW2 SOL 5519 20.800 53.830 71.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18135 ATOM 18131 OW SOL 5520 26.780 41.720 66.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18136 ATOM 18132 HW1 SOL 5520 26.710 40.740 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18137 ATOM 18133 HW2 SOL 5520 26.040 42.190 66.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18138 ATOM 18134 OW SOL 5521 26.390 53.020 69.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18139 ATOM 18135 HW1 SOL 5521 26.410 52.780 70.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18140 ATOM 18136 HW2 SOL 5521 25.470 52.850 68.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18141 ATOM 18137 OW SOL 5522 21.340 43.730 58.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18142 ATOM 18138 HW1 SOL 5522 22.190 44.190 58.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18143 ATOM 18139 HW2 SOL 5522 20.580 44.380 58.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18144 ATOM 18140 OW SOL 5523 22.370 48.950 0.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18145 ATOM 18141 HW1 SOL 5523 22.740 48.290 1.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18146 ATOM 18142 HW2 SOL 5523 22.440 48.580 -0.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18147 ATOM 18143 OW SOL 5524 30.800 49.380 67.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18148 ATOM 18144 HW1 SOL 5524 31.310 49.080 66.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18149 ATOM 18145 HW2 SOL 5524 29.990 49.890 66.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18150 ATOM 18146 OW SOL 5525 30.610 48.710 55.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18151 ATOM 18147 HW1 SOL 5525 30.270 49.590 56.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18152 ATOM 18148 HW2 SOL 5525 31.160 48.280 56.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18153 ATOM 18149 OW SOL 5526 35.090 53.390 64.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18154 ATOM 18150 HW1 SOL 5526 34.890 52.500 64.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18155 ATOM 18151 HW2 SOL 5526 34.390 54.050 64.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18156 ATOM 18152 OW SOL 5527 29.730 55.180 66.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18157 ATOM 18153 HW1 SOL 5527 30.590 55.250 67.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18158 ATOM 18154 HW2 SOL 5527 29.780 54.390 65.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18159 ATOM 18155 OW SOL 5528 19.950 50.120 65.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18160 ATOM 18156 HW1 SOL 5528 19.890 50.120 66.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18161 ATOM 18157 HW2 SOL 5528 19.410 49.360 65.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18162 ATOM 18158 OW SOL 5529 38.710 41.680 58.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18163 ATOM 18159 HW1 SOL 5529 38.090 42.140 58.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18164 ATOM 18160 HW2 SOL 5529 39.570 42.180 58.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18165 ATOM 18161 OW SOL 5530 34.220 51.940 59.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18166 ATOM 18162 HW1 SOL 5530 34.370 52.550 59.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18167 ATOM 18163 HW2 SOL 5530 33.680 52.420 60.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18168 ATOM 18164 OW SOL 5531 30.780 45.880 61.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18169 ATOM 18165 HW1 SOL 5531 31.770 45.960 61.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18170 ATOM 18166 HW2 SOL 5531 30.450 46.610 60.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18171 ATOM 18167 OW SOL 5532 24.340 49.300 70.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18172 ATOM 18168 HW1 SOL 5532 23.640 48.590 70.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18173 ATOM 18169 HW2 SOL 5532 23.910 50.200 69.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18174 ATOM 18170 OW SOL 5533 23.550 53.240 56.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18175 ATOM 18171 HW1 SOL 5533 23.400 52.960 55.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18176 ATOM 18172 HW2 SOL 5533 23.840 52.450 56.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18177 ATOM 18173 OW SOL 5534 31.900 55.300 67.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18178 ATOM 18174 HW1 SOL 5534 32.820 55.310 67.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18179 ATOM 18175 HW2 SOL 5534 31.830 56.030 68.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18180 ATOM 18176 OW SOL 5535 34.780 37.260 66.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18181 ATOM 18177 HW1 SOL 5535 35.410 36.480 66.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18182 ATOM 18178 HW2 SOL 5535 33.960 37.060 65.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18183 ATOM 18179 OW SOL 5536 18.320 42.670 62.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18184 ATOM 18180 HW1 SOL 5536 17.860 42.100 62.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18185 ATOM 18181 HW2 SOL 5536 18.760 42.090 63.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18186 ATOM 18182 OW SOL 5537 30.540 52.480 54.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18187 ATOM 18183 HW1 SOL 5537 30.680 51.900 55.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18188 ATOM 18184 HW2 SOL 5537 30.650 51.940 54.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18189 ATOM 18185 OW SOL 5538 27.270 47.150 71.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18190 ATOM 18186 HW1 SOL 5538 28.040 47.060 71.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18191 ATOM 18187 HW2 SOL 5538 27.470 47.870 72.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18192 ATOM 18188 OW SOL 5539 27.130 45.690 55.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18193 ATOM 18189 HW1 SOL 5539 27.790 45.670 54.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18194 ATOM 18190 HW2 SOL 5539 27.500 45.160 56.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18195 ATOM 18191 OW SOL 5540 34.040 53.520 54.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18196 ATOM 18192 HW1 SOL 5540 33.180 54.010 55.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18197 ATOM 18193 HW2 SOL 5540 34.470 53.840 54.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18198 ATOM 18194 OW SOL 5541 22.900 51.740 0.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18199 ATOM 18195 HW1 SOL 5541 22.790 52.330 -0.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18200 ATOM 18196 HW2 SOL 5541 22.810 50.790 0.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18201 ATOM 18197 OW SOL 5542 33.550 50.670 66.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18202 ATOM 18198 HW1 SOL 5542 34.210 51.400 67.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18203 ATOM 18199 HW2 SOL 5542 32.630 51.000 67.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18204 ATOM 18200 OW SOL 5543 27.980 48.290 61.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18205 ATOM 18201 HW1 SOL 5543 27.740 48.200 62.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18206 ATOM 18202 HW2 SOL 5543 28.480 47.480 61.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18207 ATOM 18203 OW SOL 5544 29.710 40.330 63.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18208 ATOM 18204 HW1 SOL 5544 29.190 40.160 63.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18209 ATOM 18205 HW2 SOL 5544 29.810 39.470 64.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18210 ATOM 18206 OW SOL 5545 23.190 51.080 60.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18211 ATOM 18207 HW1 SOL 5545 23.240 50.860 59.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18212 ATOM 18208 HW2 SOL 5545 22.330 51.550 60.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18213 ATOM 18209 OW SOL 5546 35.750 41.160 68.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18214 ATOM 18210 HW1 SOL 5546 36.450 41.430 68.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18215 ATOM 18211 HW2 SOL 5546 36.130 40.480 67.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18216 ATOM 18212 OW SOL 5547 19.550 49.370 58.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18217 ATOM 18213 HW1 SOL 5547 18.670 49.660 58.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18218 ATOM 18214 HW2 SOL 5547 19.920 50.100 59.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18219 ATOM 18215 OW SOL 5548 17.320 47.920 0.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18220 ATOM 18216 HW1 SOL 5548 16.900 48.650 -0.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18221 ATOM 18217 HW2 SOL 5548 18.250 48.180 0.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18222 ATOM 18218 OW SOL 5549 26.130 37.140 67.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18223 ATOM 18219 HW1 SOL 5549 27.010 36.960 67.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18224 ATOM 18220 HW2 SOL 5549 26.250 37.270 68.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18225 ATOM 18221 OW SOL 5550 18.530 42.120 55.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18226 ATOM 18222 HW1 SOL 5550 18.230 41.800 54.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18227 ATOM 18223 HW2 SOL 5550 18.770 43.090 55.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18228 ATOM 18224 OW SOL 5551 30.980 49.070 69.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18229 ATOM 18225 HW1 SOL 5551 30.970 49.140 68.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18230 ATOM 18226 HW2 SOL 5551 30.960 49.990 70.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18231 ATOM 18227 OW SOL 5552 17.930 40.210 57.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18232 ATOM 18228 HW1 SOL 5552 17.890 39.460 57.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18233 ATOM 18229 HW2 SOL 5552 18.150 41.060 57.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18234 ATOM 18230 OW SOL 5553 29.920 50.860 57.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18235 ATOM 18231 HW1 SOL 5553 29.100 51.160 58.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18236 ATOM 18232 HW2 SOL 5553 30.610 50.560 58.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18237 ATOM 18233 OW SOL 5554 26.040 45.210 70.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18238 ATOM 18234 HW1 SOL 5554 26.510 46.030 70.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18239 ATOM 18235 HW2 SOL 5554 26.500 44.400 70.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18240 ATOM 18236 OW SOL 5555 33.000 55.000 64.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18241 ATOM 18237 HW1 SOL 5555 32.920 56.000 64.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18242 ATOM 18238 HW2 SOL 5555 32.180 54.600 63.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18243 ATOM 18239 OW SOL 5556 25.570 41.440 70.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18244 ATOM 18240 HW1 SOL 5556 25.750 42.320 71.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18245 ATOM 18241 HW2 SOL 5556 25.950 40.700 71.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18246 ATOM 18242 OW SOL 5557 18.770 56.660 71.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18247 ATOM 18243 HW1 SOL 5557 18.110 57.030 72.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18248 ATOM 18244 HW2 SOL 5557 19.060 55.750 72.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18249 ATOM 18245 OW SOL 5558 35.700 46.570 67.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18250 ATOM 18246 HW1 SOL 5558 35.800 45.810 67.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18251 ATOM 18247 HW2 SOL 5558 34.970 47.180 67.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18252 ATOM 18248 OW SOL 5559 30.590 41.750 59.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18253 ATOM 18249 HW1 SOL 5559 30.960 41.200 58.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18254 ATOM 18250 HW2 SOL 5559 30.070 41.170 60.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18255 ATOM 18251 OW SOL 5560 24.340 42.060 58.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18256 ATOM 18252 HW1 SOL 5560 24.670 42.950 58.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18257 ATOM 18253 HW2 SOL 5560 24.430 42.020 57.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18258 ATOM 18254 OW SOL 5561 36.040 45.270 70.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18259 ATOM 18255 HW1 SOL 5561 36.060 45.960 71.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18260 ATOM 18256 HW2 SOL 5561 35.960 45.730 69.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18261 ATOM 18257 OW SOL 5562 26.540 49.610 55.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18262 ATOM 18258 HW1 SOL 5562 26.630 49.300 56.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18263 ATOM 18259 HW2 SOL 5562 27.150 50.390 55.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18264 ATOM 18260 OW SOL 5563 25.480 52.920 65.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18265 ATOM 18261 HW1 SOL 5563 25.120 53.850 65.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18266 ATOM 18262 HW2 SOL 5563 26.290 52.920 64.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18267 ATOM 18263 OW SOL 5564 27.730 47.230 64.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18268 ATOM 18264 HW1 SOL 5564 28.660 46.850 64.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18269 ATOM 18265 HW2 SOL 5564 27.070 46.490 64.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18270 ATOM 18266 OW SOL 5565 29.040 47.140 53.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18271 ATOM 18267 HW1 SOL 5565 28.750 47.920 53.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18272 ATOM 18268 HW2 SOL 5565 29.560 47.480 54.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18273 ATOM 18269 OW SOL 5566 35.300 50.780 63.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18274 ATOM 18270 HW1 SOL 5566 34.300 50.800 63.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18275 ATOM 18271 HW2 SOL 5566 35.670 50.070 64.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18276 ATOM 18272 OW SOL 5567 19.980 51.420 63.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18277 ATOM 18273 HW1 SOL 5567 19.320 52.150 62.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18278 ATOM 18274 HW2 SOL 5567 19.950 51.140 64.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18279 ATOM 18275 OW SOL 5568 26.020 52.460 71.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18280 ATOM 18276 HW1 SOL 5568 25.170 52.980 71.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18281 ATOM 18277 HW2 SOL 5568 25.840 51.490 72.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18282 ATOM 18278 OW SOL 5569 34.520 38.410 68.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18283 ATOM 18279 HW1 SOL 5569 35.500 38.380 69.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18284 ATOM 18280 HW2 SOL 5569 34.350 37.950 68.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18285 ATOM 18281 OW SOL 5570 20.900 43.450 61.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18286 ATOM 18282 HW1 SOL 5570 21.210 42.730 61.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18287 ATOM 18283 HW2 SOL 5570 19.980 43.220 62.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18288 ATOM 18284 OW SOL 5571 32.290 51.470 63.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18289 ATOM 18285 HW1 SOL 5571 32.460 50.730 62.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18290 ATOM 18286 HW2 SOL 5571 31.340 51.430 63.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18291 ATOM 18287 OW SOL 5572 22.120 43.480 68.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18292 ATOM 18288 HW1 SOL 5572 22.550 42.750 68.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18293 ATOM 18289 HW2 SOL 5572 22.270 43.330 67.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18294 ATOM 18290 OW SOL 5573 26.000 51.760 60.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18295 ATOM 18291 HW1 SOL 5573 25.960 52.760 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18296 ATOM 18292 HW2 SOL 5573 25.090 51.400 60.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18297 ATOM 18293 OW SOL 5574 34.160 42.490 66.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18298 ATOM 18294 HW1 SOL 5574 34.680 41.840 67.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18299 ATOM 18295 HW2 SOL 5574 33.260 42.620 67.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18300 ATOM 18296 OW SOL 5575 30.240 37.680 64.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18301 ATOM 18297 HW1 SOL 5575 30.010 37.210 63.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18302 ATOM 18298 HW2 SOL 5575 31.170 37.430 65.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18303 ATOM 18299 OW SOL 5576 26.610 49.080 58.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18304 ATOM 18300 HW1 SOL 5576 26.400 48.140 58.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18305 ATOM 18301 HW2 SOL 5576 27.230 49.490 58.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18306 ATOM 18302 OW SOL 5577 22.210 53.190 71.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18307 ATOM 18303 HW1 SOL 5577 22.530 53.980 70.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18308 ATOM 18304 HW2 SOL 5577 22.350 52.360 70.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18309 ATOM 18305 OW SOL 5578 30.880 37.050 57.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18310 ATOM 18306 HW1 SOL 5578 30.860 36.660 56.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18311 ATOM 18307 HW2 SOL 5578 29.960 37.070 57.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18312 ATOM 18308 OW SOL 5579 31.180 44.620 57.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18313 ATOM 18309 HW1 SOL 5579 30.300 44.860 58.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18314 ATOM 18310 HW2 SOL 5579 31.490 43.740 58.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18315 ATOM 18311 OW SOL 5580 33.870 42.750 64.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18316 ATOM 18312 HW1 SOL 5580 33.990 42.710 65.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18317 ATOM 18313 HW2 SOL 5580 33.850 43.710 63.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18318 ATOM 18314 OW SOL 5581 16.590 46.200 60.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18319 ATOM 18315 HW1 SOL 5581 17.340 46.070 60.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18320 ATOM 18316 HW2 SOL 5581 16.190 45.310 60.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18321 ATOM 18317 OW SOL 5582 28.090 52.710 58.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18322 ATOM 18318 HW1 SOL 5582 28.150 52.850 57.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18323 ATOM 18319 HW2 SOL 5582 27.310 53.220 58.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18324 ATOM 18320 OW SOL 5583 18.760 63.650 71.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18325 ATOM 18321 HW1 SOL 5583 17.830 64.000 71.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18326 ATOM 18322 HW2 SOL 5583 19.230 63.630 71.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18327 ATOM 18323 OW SOL 5584 20.090 58.780 10.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18328 ATOM 18324 HW1 SOL 5584 20.620 58.620 11.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18329 ATOM 18325 HW2 SOL 5584 19.180 58.380 10.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18330 ATOM 18326 OW SOL 5585 18.700 59.790 6.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18331 ATOM 18327 HW1 SOL 5585 17.930 60.170 6.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18332 ATOM 18328 HW2 SOL 5585 18.360 59.210 5.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18333 ATOM 18329 OW SOL 5586 23.050 67.510 12.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18334 ATOM 18330 HW1 SOL 5586 22.510 67.980 11.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18335 ATOM 18331 HW2 SOL 5586 22.520 66.760 12.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18336 ATOM 18332 OW SOL 5587 33.280 68.790 7.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18337 ATOM 18333 HW1 SOL 5587 32.660 69.010 8.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18338 ATOM 18334 HW2 SOL 5587 32.780 68.320 7.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18339 ATOM 18335 OW SOL 5588 30.690 61.650 5.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18340 ATOM 18336 HW1 SOL 5588 30.830 62.460 6.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18341 ATOM 18337 HW2 SOL 5588 29.750 61.330 6.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18342 ATOM 18338 OW SOL 5589 37.260 62.120 72.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18343 ATOM 18339 HW1 SOL 5589 37.030 63.040 72.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18344 ATOM 18340 HW2 SOL 5589 36.450 61.690 71.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18345 ATOM 18341 OW SOL 5590 25.100 67.250 9.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18346 ATOM 18342 HW1 SOL 5590 24.290 67.460 10.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18347 ATOM 18343 HW2 SOL 5590 25.000 67.640 9.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18348 ATOM 18344 OW SOL 5591 27.360 62.090 16.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18349 ATOM 18345 HW1 SOL 5591 27.640 62.580 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18350 ATOM 18346 HW2 SOL 5591 27.310 62.730 15.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18351 ATOM 18347 OW SOL 5592 25.940 64.750 5.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18352 ATOM 18348 HW1 SOL 5592 26.420 64.000 5.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18353 ATOM 18349 HW2 SOL 5592 24.990 64.770 5.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18354 ATOM 18350 OW SOL 5593 24.280 68.040 19.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18355 ATOM 18351 HW1 SOL 5593 24.330 67.110 19.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18356 ATOM 18352 HW2 SOL 5593 23.400 68.170 19.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18357 ATOM 18353 OW SOL 5594 21.960 69.150 10.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18358 ATOM 18354 HW1 SOL 5594 20.960 69.150 10.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18359 ATOM 18355 HW2 SOL 5594 22.350 68.880 9.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18360 ATOM 18356 OW SOL 5595 32.330 69.820 15.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18361 ATOM 18357 HW1 SOL 5595 32.690 70.750 15.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18362 ATOM 18358 HW2 SOL 5595 31.330 69.850 15.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18363 ATOM 18359 OW SOL 5596 25.280 60.310 15.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18364 ATOM 18360 HW1 SOL 5596 26.140 60.580 16.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18365 ATOM 18361 HW2 SOL 5596 24.850 59.590 16.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18366 ATOM 18362 OW SOL 5597 35.400 59.520 6.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18367 ATOM 18363 HW1 SOL 5597 34.420 59.370 6.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18368 ATOM 18364 HW2 SOL 5597 35.530 59.900 7.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18369 ATOM 18365 OW SOL 5598 29.070 67.940 19.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18370 ATOM 18366 HW1 SOL 5598 30.040 68.070 19.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18371 ATOM 18367 HW2 SOL 5598 28.880 66.970 19.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18372 ATOM 18368 OW SOL 5599 18.720 69.960 7.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18373 ATOM 18369 HW1 SOL 5599 17.790 70.060 7.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18374 ATOM 18370 HW2 SOL 5599 18.690 69.680 8.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18375 ATOM 18371 OW SOL 5600 23.210 65.440 7.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18376 ATOM 18372 HW1 SOL 5600 22.390 64.870 7.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18377 ATOM 18373 HW2 SOL 5600 23.610 65.340 8.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18378 ATOM 18374 OW SOL 5601 23.940 64.740 1.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18379 ATOM 18375 HW1 SOL 5601 23.980 65.330 1.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18380 ATOM 18376 HW2 SOL 5601 24.790 64.840 2.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18381 ATOM 18377 OW SOL 5602 34.050 56.500 13.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18382 ATOM 18378 HW1 SOL 5602 34.710 57.220 13.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18383 ATOM 18379 HW2 SOL 5602 34.320 56.030 14.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18384 ATOM 18380 OW SOL 5603 20.330 63.710 7.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18385 ATOM 18381 HW1 SOL 5603 21.010 62.990 7.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18386 ATOM 18382 HW2 SOL 5603 19.680 63.730 7.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18387 ATOM 18383 OW SOL 5604 18.890 72.450 8.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18388 ATOM 18384 HW1 SOL 5604 19.700 72.600 9.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18389 ATOM 18385 HW2 SOL 5604 19.010 71.620 8.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18390 ATOM 18386 OW SOL 5605 34.400 64.050 7.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18391 ATOM 18387 HW1 SOL 5605 34.080 63.430 6.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18392 ATOM 18388 HW2 SOL 5605 35.290 64.430 7.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18393 ATOM 18389 OW SOL 5606 35.050 66.260 4.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18394 ATOM 18390 HW1 SOL 5606 35.860 66.120 4.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18395 ATOM 18391 HW2 SOL 5606 35.270 66.890 5.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18396 ATOM 18392 OW SOL 5607 19.460 63.750 14.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18397 ATOM 18393 HW1 SOL 5607 19.850 64.420 14.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18398 ATOM 18394 HW2 SOL 5607 18.720 64.180 13.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18399 ATOM 18395 OW SOL 5608 23.780 68.280 5.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18400 ATOM 18396 HW1 SOL 5608 22.940 67.860 4.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18401 ATOM 18397 HW2 SOL 5608 23.670 69.270 5.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18402 ATOM 18398 OW SOL 5609 29.290 65.920 16.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18403 ATOM 18399 HW1 SOL 5609 28.840 66.790 16.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18404 ATOM 18400 HW2 SOL 5609 30.260 65.990 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18405 ATOM 18401 OW SOL 5610 26.570 56.760 3.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18406 ATOM 18402 HW1 SOL 5610 27.520 56.970 3.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18407 ATOM 18403 HW2 SOL 5610 26.340 57.250 4.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18408 ATOM 18404 OW SOL 5611 22.060 65.460 13.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18409 ATOM 18405 HW1 SOL 5611 22.720 65.040 14.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18410 ATOM 18406 HW2 SOL 5611 21.820 64.800 13.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18411 ATOM 18407 OW SOL 5612 34.230 65.570 2.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18412 ATOM 18408 HW1 SOL 5612 33.900 64.630 2.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18413 ATOM 18409 HW2 SOL 5612 34.460 65.910 3.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18414 ATOM 18410 OW SOL 5613 23.130 59.690 19.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18415 ATOM 18411 HW1 SOL 5613 23.710 60.100 19.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18416 ATOM 18412 HW2 SOL 5613 22.250 60.160 19.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18417 ATOM 18413 OW SOL 5614 31.480 68.770 9.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18418 ATOM 18414 HW1 SOL 5614 31.260 69.120 10.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18419 ATOM 18415 HW2 SOL 5614 30.670 68.820 9.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18420 ATOM 18416 OW SOL 5615 24.140 62.190 4.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18421 ATOM 18417 HW1 SOL 5615 24.270 62.940 3.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18422 ATOM 18418 HW2 SOL 5615 23.590 61.470 3.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18423 ATOM 18419 OW SOL 5616 30.890 57.300 8.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18424 ATOM 18420 HW1 SOL 5616 30.570 57.320 7.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18425 ATOM 18421 HW2 SOL 5616 30.160 56.970 9.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18426 ATOM 18422 OW SOL 5617 33.430 0.410 2.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18427 ATOM 18423 HW1 SOL 5617 33.390 0.900 3.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18428 ATOM 18424 HW2 SOL 5617 33.160 1.010 1.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18429 ATOM 18425 OW SOL 5618 27.190 61.110 12.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18430 ATOM 18426 HW1 SOL 5618 27.370 60.710 13.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18431 ATOM 18427 HW2 SOL 5618 27.270 60.410 11.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18432 ATOM 18428 OW SOL 5619 33.270 59.350 14.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18433 ATOM 18429 HW1 SOL 5619 33.220 60.260 15.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18434 ATOM 18430 HW2 SOL 5619 34.220 59.030 14.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18435 ATOM 18431 OW SOL 5620 28.990 63.700 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18436 ATOM 18432 HW1 SOL 5620 29.780 63.140 17.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18437 ATOM 18433 HW2 SOL 5620 28.930 64.460 17.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18438 ATOM 18434 OW SOL 5621 27.590 57.060 9.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18439 ATOM 18435 HW1 SOL 5621 27.240 57.990 9.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18440 ATOM 18436 HW2 SOL 5621 27.170 56.600 9.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18441 ATOM 18437 OW SOL 5622 28.870 63.190 3.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18442 ATOM 18438 HW1 SOL 5622 29.810 63.490 3.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18443 ATOM 18439 HW2 SOL 5622 28.810 62.200 3.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18444 ATOM 18440 OW SOL 5623 18.830 63.810 9.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18445 ATOM 18441 HW1 SOL 5623 18.470 63.160 10.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18446 ATOM 18442 HW2 SOL 5623 18.760 64.740 9.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18447 ATOM 18443 OW SOL 5624 18.150 0.890 17.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18448 ATOM 18444 HW1 SOL 5624 17.210 1.150 16.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18449 ATOM 18445 HW2 SOL 5624 18.180 -0.090 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18450 ATOM 18446 OW SOL 5625 28.900 57.030 0.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18451 ATOM 18447 HW1 SOL 5625 29.720 56.940 0.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18452 ATOM 18448 HW2 SOL 5625 28.310 56.240 0.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18453 ATOM 18449 OW SOL 5626 35.090 59.080 18.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18454 ATOM 18450 HW1 SOL 5626 34.620 59.940 17.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18455 ATOM 18451 HW2 SOL 5626 35.500 58.740 17.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18456 ATOM 18452 OW SOL 5627 32.200 65.880 5.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18457 ATOM 18453 HW1 SOL 5627 33.140 65.550 5.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18458 ATOM 18454 HW2 SOL 5627 32.190 66.840 5.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18459 ATOM 18455 OW SOL 5628 26.550 55.500 7.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18460 ATOM 18456 HW1 SOL 5628 26.070 56.180 7.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18461 ATOM 18457 HW2 SOL 5628 27.410 55.240 7.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18462 ATOM 18458 OW SOL 5629 29.510 69.010 5.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18463 ATOM 18459 HW1 SOL 5629 29.010 68.140 5.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18464 ATOM 18460 HW2 SOL 5629 29.000 69.700 5.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18465 ATOM 18461 OW SOL 5630 21.640 0.100 9.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18466 ATOM 18462 HW1 SOL 5630 22.040 -0.810 9.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18467 ATOM 18463 HW2 SOL 5630 21.980 0.480 10.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18468 ATOM 18464 OW SOL 5631 36.160 66.870 9.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18469 ATOM 18465 HW1 SOL 5631 36.400 67.510 8.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18470 ATOM 18466 HW2 SOL 5631 35.340 67.190 9.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18471 ATOM 18467 OW SOL 5632 29.610 70.330 14.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18472 ATOM 18468 HW1 SOL 5632 29.350 71.150 15.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18473 ATOM 18469 HW2 SOL 5632 29.130 69.540 15.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18474 ATOM 18470 OW SOL 5633 21.320 65.050 0.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18475 ATOM 18471 HW1 SOL 5633 21.330 64.120 0.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18476 ATOM 18472 HW2 SOL 5633 21.520 65.030 1.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18477 ATOM 18473 OW SOL 5634 33.010 64.280 9.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18478 ATOM 18474 HW1 SOL 5634 33.380 63.820 10.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18479 ATOM 18475 HW2 SOL 5634 33.670 64.250 9.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18480 ATOM 18476 OW SOL 5635 21.920 70.950 17.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18481 ATOM 18477 HW1 SOL 5635 21.550 70.730 16.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18482 ATOM 18478 HW2 SOL 5635 21.880 70.150 18.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18483 ATOM 18479 OW SOL 5636 22.010 57.080 15.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18484 ATOM 18480 HW1 SOL 5636 21.970 56.190 14.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18485 ATOM 18481 HW2 SOL 5636 21.380 57.710 14.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18486 ATOM 18482 OW SOL 5637 32.250 70.760 1.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18487 ATOM 18483 HW1 SOL 5637 32.680 71.480 1.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18488 ATOM 18484 HW2 SOL 5637 31.450 70.410 1.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18489 ATOM 18485 OW SOL 5638 33.960 59.660 3.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18490 ATOM 18486 HW1 SOL 5638 34.470 60.060 2.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18491 ATOM 18487 HW2 SOL 5638 34.450 58.860 3.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18492 ATOM 18488 OW SOL 5639 21.680 64.490 3.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18493 ATOM 18489 HW1 SOL 5639 21.440 63.550 3.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18494 ATOM 18490 HW2 SOL 5639 22.470 64.470 3.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18495 ATOM 18491 OW SOL 5640 34.660 55.590 16.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18496 ATOM 18492 HW1 SOL 5640 33.910 55.680 17.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18497 ATOM 18493 HW2 SOL 5640 35.060 54.680 16.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18498 ATOM 18494 OW SOL 5641 24.930 55.220 72.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18499 ATOM 18495 HW1 SOL 5641 25.840 54.950 72.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18500 ATOM 18496 HW2 SOL 5641 25.020 55.980 71.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18501 ATOM 18497 OW SOL 5642 28.280 56.640 14.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18502 ATOM 18498 HW1 SOL 5642 29.210 56.910 15.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18503 ATOM 18499 HW2 SOL 5642 27.670 57.430 14.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18504 ATOM 18500 OW SOL 5643 27.850 70.850 11.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18505 ATOM 18501 HW1 SOL 5643 28.080 70.680 10.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18506 ATOM 18502 HW2 SOL 5643 27.830 69.980 11.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18507 ATOM 18503 OW SOL 5644 30.880 59.910 13.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18508 ATOM 18504 HW1 SOL 5644 31.790 59.690 14.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18509 ATOM 18505 HW2 SOL 5644 30.840 60.880 13.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18510 ATOM 18506 OW SOL 5645 25.680 68.210 7.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18511 ATOM 18507 HW1 SOL 5645 26.420 67.590 7.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18512 ATOM 18508 HW2 SOL 5645 24.840 67.960 6.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18513 ATOM 18509 OW SOL 5646 29.670 57.560 6.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18514 ATOM 18510 HW1 SOL 5646 29.410 57.860 5.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18515 ATOM 18511 HW2 SOL 5646 29.540 56.570 6.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18516 ATOM 18512 OW SOL 5647 25.630 57.640 6.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18517 ATOM 18513 HW1 SOL 5647 24.720 57.570 6.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18518 ATOM 18514 HW2 SOL 5647 25.750 58.550 5.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18519 ATOM 18515 OW SOL 5648 30.410 69.660 2.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18520 ATOM 18516 HW1 SOL 5648 29.880 68.830 3.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18521 ATOM 18517 HW2 SOL 5648 30.580 70.120 3.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18522 ATOM 18518 OW SOL 5649 22.700 59.720 3.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18523 ATOM 18519 HW1 SOL 5649 22.060 59.610 2.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18524 ATOM 18520 HW2 SOL 5649 22.850 58.840 4.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18525 ATOM 18521 OW SOL 5650 29.490 58.200 3.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18526 ATOM 18522 HW1 SOL 5650 29.290 57.930 2.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18527 ATOM 18523 HW2 SOL 5650 30.470 58.180 3.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18528 ATOM 18524 OW SOL 5651 27.920 64.570 14.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18529 ATOM 18525 HW1 SOL 5651 28.460 64.800 15.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18530 ATOM 18526 HW2 SOL 5651 28.510 64.600 13.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18531 ATOM 18527 OW SOL 5652 29.150 69.120 8.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18532 ATOM 18528 HW1 SOL 5652 29.280 70.110 8.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18533 ATOM 18529 HW2 SOL 5652 29.140 68.800 7.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18534 ATOM 18530 OW SOL 5653 21.240 67.050 4.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18535 ATOM 18531 HW1 SOL 5653 20.840 67.790 4.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18536 ATOM 18532 HW2 SOL 5653 21.340 66.240 4.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18537 ATOM 18533 OW SOL 5654 26.550 59.470 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18538 ATOM 18534 HW1 SOL 5654 27.010 60.250 0.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18539 ATOM 18535 HW2 SOL 5654 27.120 58.650 1.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18540 ATOM 18536 OW SOL 5655 20.050 61.360 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18541 ATOM 18537 HW1 SOL 5655 20.880 61.370 12.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18542 ATOM 18538 HW2 SOL 5655 20.020 62.190 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18543 ATOM 18539 OW SOL 5656 22.750 56.460 11.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18544 ATOM 18540 HW1 SOL 5656 22.750 55.730 11.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18545 ATOM 18541 HW2 SOL 5656 22.330 57.280 11.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18546 ATOM 18542 OW SOL 5657 28.390 60.480 4.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18547 ATOM 18543 HW1 SOL 5657 27.430 60.310 4.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18548 ATOM 18544 HW2 SOL 5657 28.940 59.710 4.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18549 ATOM 18545 OW SOL 5658 32.280 54.930 4.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18550 ATOM 18546 HW1 SOL 5658 31.410 54.440 4.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18551 ATOM 18547 HW2 SOL 5658 32.160 55.860 4.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18552 ATOM 18548 OW SOL 5659 31.550 66.230 10.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18553 ATOM 18549 HW1 SOL 5659 31.440 67.060 10.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18554 ATOM 18550 HW2 SOL 5659 31.990 65.530 10.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18555 ATOM 18551 OW SOL 5660 31.770 60.080 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18556 ATOM 18552 HW1 SOL 5660 31.510 59.130 9.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18557 ATOM 18553 HW2 SOL 5660 32.470 60.370 9.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18558 ATOM 18554 OW SOL 5661 35.640 63.020 3.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18559 ATOM 18555 HW1 SOL 5661 36.220 62.480 3.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18560 ATOM 18556 HW2 SOL 5661 36.070 63.910 2.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18561 ATOM 18557 OW SOL 5662 22.510 68.950 1.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18562 ATOM 18558 HW1 SOL 5662 22.140 68.400 0.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18563 ATOM 18559 HW2 SOL 5662 21.870 68.960 2.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18564 ATOM 18560 OW SOL 5663 36.040 68.030 6.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18565 ATOM 18561 HW1 SOL 5663 36.480 68.800 6.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18566 ATOM 18562 HW2 SOL 5663 35.090 68.250 7.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18567 ATOM 18563 OW SOL 5664 33.060 60.500 0.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18568 ATOM 18564 HW1 SOL 5664 33.940 60.620 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18569 ATOM 18565 HW2 SOL 5664 32.980 59.550 -0.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18570 ATOM 18566 OW SOL 5665 21.070 59.340 1.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18571 ATOM 18567 HW1 SOL 5665 21.330 58.490 1.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18572 ATOM 18568 HW2 SOL 5665 20.800 60.030 0.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18573 ATOM 18569 OW SOL 5666 35.100 67.280 15.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18574 ATOM 18570 HW1 SOL 5666 35.950 66.760 15.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18575 ATOM 18571 HW2 SOL 5666 35.230 68.070 16.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18576 ATOM 18572 OW SOL 5667 28.200 68.410 16.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18577 ATOM 18573 HW1 SOL 5667 27.250 68.660 16.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18578 ATOM 18574 HW2 SOL 5667 28.440 68.730 17.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18579 ATOM 18575 OW SOL 5668 34.320 69.370 17.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18580 ATOM 18576 HW1 SOL 5668 34.620 70.320 17.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18581 ATOM 18577 HW2 SOL 5668 33.470 69.260 16.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18582 ATOM 18578 OW SOL 5669 27.440 68.310 12.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18583 ATOM 18579 HW1 SOL 5669 26.500 68.070 13.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18584 ATOM 18580 HW2 SOL 5669 27.660 67.910 12.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18585 ATOM 18581 OW SOL 5670 34.200 67.800 11.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18586 ATOM 18582 HW1 SOL 5670 34.360 68.230 12.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18587 ATOM 18583 HW2 SOL 5670 33.430 67.170 11.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18588 ATOM 18584 OW SOL 5671 28.290 54.890 12.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18589 ATOM 18585 HW1 SOL 5671 29.240 54.950 12.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18590 ATOM 18586 HW2 SOL 5671 28.090 55.650 13.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18591 ATOM 18587 OW SOL 5672 24.970 65.510 18.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18592 ATOM 18588 HW1 SOL 5672 24.030 65.170 18.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18593 ATOM 18589 HW2 SOL 5672 25.340 65.640 17.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18594 ATOM 18590 OW SOL 5673 26.730 65.480 2.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18595 ATOM 18591 HW1 SOL 5673 27.080 64.830 3.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18596 ATOM 18592 HW2 SOL 5673 27.140 65.270 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18597 ATOM 18593 OW SOL 5674 21.850 62.020 15.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18598 ATOM 18594 HW1 SOL 5674 22.550 62.720 15.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18599 ATOM 18595 HW2 SOL 5674 22.100 61.360 14.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18600 ATOM 18596 OW SOL 5675 30.240 57.680 11.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18601 ATOM 18597 HW1 SOL 5675 30.150 58.390 12.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18602 ATOM 18598 HW2 SOL 5675 29.340 57.360 11.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18603 ATOM 18599 OW SOL 5676 18.660 71.840 12.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18604 ATOM 18600 HW1 SOL 5676 19.200 72.110 13.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18605 ATOM 18601 HW2 SOL 5676 17.820 72.390 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18606 ATOM 18602 OW SOL 5677 20.210 68.680 2.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18607 ATOM 18603 HW1 SOL 5677 19.890 69.480 3.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18608 ATOM 18604 HW2 SOL 5677 19.430 68.130 2.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18609 ATOM 18605 OW SOL 5678 22.260 61.530 7.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18610 ATOM 18606 HW1 SOL 5678 23.200 61.520 7.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18611 ATOM 18607 HW2 SOL 5678 21.860 60.620 7.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18612 ATOM 18608 OW SOL 5679 32.060 68.920 5.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18613 ATOM 18609 HW1 SOL 5679 32.340 69.820 5.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18614 ATOM 18610 HW2 SOL 5679 31.070 68.830 5.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18615 ATOM 18611 OW SOL 5680 30.510 69.320 12.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18616 ATOM 18612 HW1 SOL 5680 30.160 69.980 13.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18617 ATOM 18613 HW2 SOL 5680 30.170 68.410 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18618 ATOM 18614 OW SOL 5681 33.800 63.150 5.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18619 ATOM 18615 HW1 SOL 5681 32.860 62.840 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18620 ATOM 18616 HW2 SOL 5681 34.250 63.100 4.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18621 ATOM 18617 OW SOL 5682 22.610 70.690 12.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18622 ATOM 18618 HW1 SOL 5682 22.490 70.290 12.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18623 ATOM 18619 HW2 SOL 5682 23.570 70.940 13.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18624 ATOM 18620 OW SOL 5683 22.450 64.300 17.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18625 ATOM 18621 HW1 SOL 5683 23.170 63.930 17.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18626 ATOM 18622 HW2 SOL 5683 21.640 63.720 17.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18627 ATOM 18623 OW SOL 5684 33.890 61.560 17.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18628 ATOM 18624 HW1 SOL 5684 33.020 61.920 17.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18629 ATOM 18625 HW2 SOL 5684 34.540 62.320 17.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18630 ATOM 18626 OW SOL 5685 29.980 56.440 18.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18631 ATOM 18627 HW1 SOL 5685 30.070 56.690 17.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18632 ATOM 18628 HW2 SOL 5685 30.890 56.400 18.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18633 ATOM 18629 OW SOL 5686 23.820 58.280 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18634 ATOM 18630 HW1 SOL 5686 23.170 57.720 16.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18635 ATOM 18631 HW2 SOL 5686 23.380 58.670 17.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18636 ATOM 18632 OW SOL 5687 24.760 64.470 10.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18637 ATOM 18633 HW1 SOL 5687 24.830 65.460 10.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18638 ATOM 18634 HW2 SOL 5687 25.670 64.070 10.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18639 ATOM 18635 OW SOL 5688 29.230 62.390 8.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18640 ATOM 18636 HW1 SOL 5688 30.140 62.760 8.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18641 ATOM 18637 HW2 SOL 5688 29.240 61.400 8.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18642 ATOM 18638 OW SOL 5689 32.140 61.270 3.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18643 ATOM 18639 HW1 SOL 5689 32.860 60.580 3.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18644 ATOM 18640 HW2 SOL 5689 31.530 61.150 4.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18645 ATOM 18641 OW SOL 5690 21.620 58.600 12.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18646 ATOM 18642 HW1 SOL 5690 22.540 58.970 12.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18647 ATOM 18643 HW2 SOL 5690 20.990 58.990 13.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18648 ATOM 18644 OW SOL 5691 18.400 68.990 12.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18649 ATOM 18645 HW1 SOL 5691 18.980 68.480 13.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18650 ATOM 18646 HW2 SOL 5691 18.530 69.970 12.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18651 ATOM 18647 OW SOL 5692 24.410 61.630 9.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18652 ATOM 18648 HW1 SOL 5692 24.130 61.360 8.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18653 ATOM 18649 HW2 SOL 5692 24.490 62.620 9.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18654 ATOM 18650 OW SOL 5693 37.520 62.140 18.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18655 ATOM 18651 HW1 SOL 5693 36.640 62.610 18.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18656 ATOM 18652 HW2 SOL 5693 38.030 62.450 19.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18657 ATOM 18653 OW SOL 5694 23.080 57.150 7.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18658 ATOM 18654 HW1 SOL 5694 22.290 57.760 6.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18659 ATOM 18655 HW2 SOL 5694 22.900 56.480 7.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18660 ATOM 18656 OW SOL 5695 35.560 60.540 1.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18661 ATOM 18657 HW1 SOL 5695 36.440 60.230 0.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18662 ATOM 18658 HW2 SOL 5695 35.680 61.390 1.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18663 ATOM 18659 OW SOL 5696 29.400 59.790 8.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18664 ATOM 18660 HW1 SOL 5696 30.300 59.780 8.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18665 ATOM 18661 HW2 SOL 5696 29.270 58.960 7.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18666 ATOM 18662 OW SOL 5697 26.080 69.830 17.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18667 ATOM 18663 HW1 SOL 5697 25.430 70.230 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18668 ATOM 18664 HW2 SOL 5697 25.600 69.290 18.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18669 ATOM 18665 OW SOL 5698 39.090 70.480 14.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18670 ATOM 18666 HW1 SOL 5698 39.720 70.490 13.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18671 ATOM 18667 HW2 SOL 5698 39.450 69.900 15.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18672 ATOM 18668 OW SOL 5699 20.720 66.510 18.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18673 ATOM 18669 HW1 SOL 5699 20.870 66.860 19.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18674 ATOM 18670 HW2 SOL 5699 21.390 65.790 18.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18675 ATOM 18671 OW SOL 5700 33.660 58.010 71.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18676 ATOM 18672 HW1 SOL 5700 34.620 57.730 71.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18677 ATOM 18673 HW2 SOL 5700 33.080 57.270 72.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18678 ATOM 18674 OW SOL 5701 32.150 66.900 72.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18679 ATOM 18675 HW1 SOL 5701 31.910 66.280 71.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18680 ATOM 18676 HW2 SOL 5701 33.050 66.660 72.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18681 ATOM 18677 OW SOL 5702 27.930 67.340 10.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18682 ATOM 18678 HW1 SOL 5702 26.960 67.360 10.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18683 ATOM 18679 HW2 SOL 5702 28.450 67.780 9.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18684 ATOM 18680 OW SOL 5703 22.370 63.410 11.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18685 ATOM 18681 HW1 SOL 5703 23.150 63.860 11.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18686 ATOM 18682 HW2 SOL 5703 21.950 62.770 11.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18687 ATOM 18683 OW SOL 5704 21.250 61.390 10.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18688 ATOM 18684 HW1 SOL 5704 20.700 60.550 10.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18689 ATOM 18685 HW2 SOL 5704 21.910 61.360 9.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18690 ATOM 18686 OW SOL 5705 30.460 58.180 16.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18691 ATOM 18687 HW1 SOL 5705 30.290 58.930 16.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18692 ATOM 18688 HW2 SOL 5705 31.160 58.450 15.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18693 ATOM 18689 OW SOL 5706 31.430 55.920 13.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18694 ATOM 18690 HW1 SOL 5706 32.330 56.350 13.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18695 ATOM 18691 HW2 SOL 5706 30.980 56.220 12.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18696 ATOM 18692 OW SOL 5707 16.450 68.780 1.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18697 ATOM 18693 HW1 SOL 5707 16.590 68.230 0.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18698 ATOM 18694 HW2 SOL 5707 16.020 68.220 1.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18699 ATOM 18695 OW SOL 5708 22.690 68.190 8.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18700 ATOM 18696 HW1 SOL 5708 22.400 68.900 7.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18701 ATOM 18697 HW2 SOL 5708 22.770 67.320 7.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18702 ATOM 18698 OW SOL 5709 27.290 63.420 10.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18703 ATOM 18699 HW1 SOL 5709 27.860 63.250 9.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18704 ATOM 18700 HW2 SOL 5709 27.300 62.610 11.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18705 ATOM 18701 OW SOL 5710 17.950 62.400 11.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18706 ATOM 18702 HW1 SOL 5710 18.730 61.870 11.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18707 ATOM 18703 HW2 SOL 5710 17.660 63.030 12.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18708 ATOM 18704 OW SOL 5711 20.290 62.750 17.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18709 ATOM 18705 HW1 SOL 5711 19.830 63.480 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18710 ATOM 18706 HW2 SOL 5711 20.760 62.140 16.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18711 ATOM 18707 OW SOL 5712 31.280 63.650 15.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18712 ATOM 18708 HW1 SOL 5712 31.890 64.410 15.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18713 ATOM 18709 HW2 SOL 5712 31.000 63.170 14.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18714 ATOM 18710 OW SOL 5713 25.980 59.660 4.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18715 ATOM 18711 HW1 SOL 5713 26.110 59.420 3.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18716 ATOM 18712 HW2 SOL 5713 25.060 60.040 4.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18717 ATOM 18713 OW SOL 5714 33.770 59.970 11.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18718 ATOM 18714 HW1 SOL 5714 33.820 59.000 11.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18719 ATOM 18715 HW2 SOL 5714 34.510 60.220 10.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18720 ATOM 18716 OW SOL 5715 18.370 70.840 17.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18721 ATOM 18717 HW1 SOL 5715 17.810 70.480 18.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18722 ATOM 18718 HW2 SOL 5715 19.330 70.860 18.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18723 ATOM 18719 OW SOL 5716 26.700 59.720 9.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18724 ATOM 18720 HW1 SOL 5716 27.310 60.090 9.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18725 ATOM 18721 HW2 SOL 5716 25.850 60.240 9.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18726 ATOM 18722 OW SOL 5717 20.310 61.510 72.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18727 ATOM 18723 HW1 SOL 5717 21.250 61.840 72.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18728 ATOM 18724 HW2 SOL 5717 19.680 62.280 72.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18729 ATOM 18725 OW SOL 5718 19.790 67.260 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18730 ATOM 18726 HW1 SOL 5718 19.400 66.890 14.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18731 ATOM 18727 HW2 SOL 5718 20.410 66.590 13.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18732 ATOM 18728 OW SOL 5719 29.220 64.800 12.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18733 ATOM 18729 HW1 SOL 5719 28.500 64.680 11.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18734 ATOM 18730 HW2 SOL 5719 29.940 65.380 11.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18735 ATOM 18731 OW SOL 5720 32.840 63.240 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18736 ATOM 18732 HW1 SOL 5720 32.790 62.450 2.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18737 ATOM 18733 HW2 SOL 5720 32.790 62.920 0.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18738 ATOM 18734 OW SOL 5721 36.350 70.970 11.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18739 ATOM 18735 HW1 SOL 5721 35.800 70.810 10.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18740 ATOM 18736 HW2 SOL 5721 36.510 70.110 12.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18741 ATOM 18737 OW SOL 5722 31.710 72.240 11.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18742 ATOM 18738 HW1 SOL 5722 32.160 72.190 10.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18743 ATOM 18739 HW2 SOL 5722 31.610 71.320 11.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18744 ATOM 18740 OW SOL 5723 18.970 69.100 10.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18745 ATOM 18741 HW1 SOL 5723 18.610 69.370 10.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18746 ATOM 18742 HW2 SOL 5723 18.890 68.110 9.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18747 ATOM 18743 OW SOL 5724 27.500 54.760 72.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18748 ATOM 18744 HW1 SOL 5724 28.290 54.830 71.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18749 ATOM 18745 HW2 SOL 5724 27.040 53.880 72.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18750 ATOM 18746 OW SOL 5725 35.100 57.170 3.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18751 ATOM 18747 HW1 SOL 5725 35.890 57.040 2.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18752 ATOM 18748 HW2 SOL 5725 34.880 56.310 3.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18753 ATOM 18749 OW SOL 5726 31.920 71.450 5.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18754 ATOM 18750 HW1 SOL 5726 32.420 72.070 5.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18755 ATOM 18751 HW2 SOL 5726 30.950 71.710 6.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18756 ATOM 18752 OW SOL 5727 19.870 70.100 20.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18757 ATOM 18753 HW1 SOL 5727 18.940 69.780 20.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18758 ATOM 18754 HW2 SOL 5727 19.950 71.070 20.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18759 ATOM 18755 OW SOL 5728 31.330 63.880 7.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18760 ATOM 18756 HW1 SOL 5728 31.930 64.000 8.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18761 ATOM 18757 HW2 SOL 5728 31.460 64.650 6.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18762 ATOM 18758 OW SOL 5729 24.840 68.220 14.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18763 ATOM 18759 HW1 SOL 5729 24.580 68.940 14.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18764 ATOM 18760 HW2 SOL 5729 24.110 68.100 13.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18765 ATOM 18761 OW SOL 5730 23.900 71.110 1.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18766 ATOM 18762 HW1 SOL 5730 23.120 71.700 1.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18767 ATOM 18763 HW2 SOL 5730 23.690 70.170 1.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18768 ATOM 18764 OW SOL 5731 36.140 56.930 8.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18769 ATOM 18765 HW1 SOL 5731 36.760 56.190 8.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18770 ATOM 18766 HW2 SOL 5731 35.210 56.690 8.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18771 ATOM 18767 OW SOL 5732 20.970 59.110 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18772 ATOM 18768 HW1 SOL 5732 20.180 59.290 6.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18773 ATOM 18769 HW2 SOL 5732 20.660 58.830 8.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18774 ATOM 18770 OW SOL 5733 29.370 71.060 0.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18775 ATOM 18771 HW1 SOL 5733 28.390 71.100 0.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18776 ATOM 18772 HW2 SOL 5733 29.730 70.180 0.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18777 ATOM 18773 OW SOL 5734 25.440 65.460 15.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18778 ATOM 18774 HW1 SOL 5734 26.320 65.080 14.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18779 ATOM 18775 HW2 SOL 5734 25.280 66.320 14.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18780 ATOM 18776 OW SOL 5735 27.950 63.950 0.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18781 ATOM 18777 HW1 SOL 5735 28.610 63.920 -0.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18782 ATOM 18778 HW2 SOL 5735 28.300 63.450 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18783 ATOM 18779 OW SOL 5736 21.350 69.940 15.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18784 ATOM 18780 HW1 SOL 5736 21.910 70.230 14.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18785 ATOM 18781 HW2 SOL 5736 20.800 69.150 14.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18786 ATOM 18782 OW SOL 5737 34.290 68.910 13.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18787 ATOM 18783 HW1 SOL 5737 34.120 68.260 14.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18788 ATOM 18784 HW2 SOL 5737 33.590 69.620 13.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18789 ATOM 18785 OW SOL 5738 27.830 66.800 5.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18790 ATOM 18786 HW1 SOL 5738 28.280 66.790 4.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18791 ATOM 18787 HW2 SOL 5738 27.000 66.240 5.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18792 ATOM 18788 OW SOL 5739 29.000 54.970 6.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18793 ATOM 18789 HW1 SOL 5739 29.100 54.560 5.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18794 ATOM 18790 HW2 SOL 5739 29.440 54.390 7.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18795 ATOM 18791 OW SOL 5740 21.360 70.340 6.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18796 ATOM 18792 HW1 SOL 5740 21.460 71.200 6.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18797 ATOM 18793 HW2 SOL 5740 20.500 70.350 7.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18798 ATOM 18794 OW SOL 5741 35.990 58.130 12.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18799 ATOM 18795 HW1 SOL 5741 36.250 59.080 12.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18800 ATOM 18796 HW2 SOL 5741 36.190 57.570 12.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18801 ATOM 18797 OW SOL 5742 19.550 71.010 4.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18802 ATOM 18798 HW1 SOL 5742 20.310 71.490 4.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18803 ATOM 18799 HW2 SOL 5742 18.690 71.390 4.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18804 ATOM 18800 OW SOL 5743 19.510 65.320 16.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18805 ATOM 18801 HW1 SOL 5743 18.600 65.350 16.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18806 ATOM 18802 HW2 SOL 5743 20.190 65.670 17.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18807 ATOM 18803 OW SOL 5744 25.740 55.470 11.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18808 ATOM 18804 HW1 SOL 5744 26.680 55.450 11.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18809 ATOM 18805 HW2 SOL 5744 25.190 56.080 11.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18810 ATOM 18806 OW SOL 5745 16.990 60.000 72.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18811 ATOM 18807 HW1 SOL 5745 17.010 60.000 71.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18812 ATOM 18808 HW2 SOL 5745 17.160 60.930 72.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18813 ATOM 18809 OW SOL 5746 30.720 62.570 12.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18814 ATOM 18810 HW1 SOL 5746 30.110 63.290 12.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18815 ATOM 18811 HW2 SOL 5746 31.570 62.580 12.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18816 ATOM 18812 OW SOL 5747 19.970 57.680 3.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18817 ATOM 18813 HW1 SOL 5747 20.300 58.160 2.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18818 ATOM 18814 HW2 SOL 5747 20.740 57.250 4.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18819 ATOM 18815 OW SOL 5748 30.880 65.110 2.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18820 ATOM 18816 HW1 SOL 5748 31.410 64.390 2.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18821 ATOM 18817 HW2 SOL 5748 31.490 65.660 3.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18822 ATOM 18818 OW SOL 5749 24.220 63.310 16.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18823 ATOM 18819 HW1 SOL 5749 24.870 64.060 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18824 ATOM 18820 HW2 SOL 5749 24.720 62.450 16.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18825 ATOM 18821 OW SOL 5750 29.430 71.790 8.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18826 ATOM 18822 HW1 SOL 5750 30.390 71.970 8.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18827 ATOM 18823 HW2 SOL 5750 29.110 72.460 7.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18828 ATOM 18824 OW SOL 5751 28.280 59.980 14.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18829 ATOM 18825 HW1 SOL 5751 28.100 60.760 15.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18830 ATOM 18826 HW2 SOL 5751 29.260 59.810 14.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18831 ATOM 18827 OW SOL 5752 33.060 65.830 16.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18832 ATOM 18828 HW1 SOL 5752 32.960 65.760 17.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18833 ATOM 18829 HW2 SOL 5752 33.780 66.490 16.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18834 ATOM 18830 OW SOL 5753 33.680 62.640 12.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18835 ATOM 18831 HW1 SOL 5753 33.830 61.700 11.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18836 ATOM 18832 HW2 SOL 5753 34.310 62.860 12.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18837 ATOM 18833 OW SOL 5754 32.070 57.850 4.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18838 ATOM 18834 HW1 SOL 5754 32.910 57.990 3.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18839 ATOM 18835 HW2 SOL 5754 32.100 58.390 5.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18840 ATOM 18836 OW SOL 5755 24.690 61.950 6.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18841 ATOM 18837 HW1 SOL 5755 25.690 62.030 6.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18842 ATOM 18838 HW2 SOL 5755 24.350 61.860 6.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18843 ATOM 18839 OW SOL 5756 36.120 58.080 15.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18844 ATOM 18840 HW1 SOL 5756 36.420 58.240 14.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18845 ATOM 18841 HW2 SOL 5756 35.870 57.120 15.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18846 ATOM 18842 OW SOL 5757 35.360 63.740 17.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18847 ATOM 18843 HW1 SOL 5757 36.200 64.280 17.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18848 ATOM 18844 HW2 SOL 5757 34.570 64.350 17.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18849 ATOM 18845 OW SOL 5758 26.650 70.570 1.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18850 ATOM 18846 HW1 SOL 5758 26.560 69.580 1.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18851 ATOM 18847 HW2 SOL 5758 25.810 70.970 1.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18852 ATOM 18848 OW SOL 5759 27.410 62.650 6.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18853 ATOM 18849 HW1 SOL 5759 27.690 61.990 5.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18854 ATOM 18850 HW2 SOL 5759 28.230 63.060 6.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18855 ATOM 18851 OW SOL 5760 29.930 63.230 70.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18856 ATOM 18852 HW1 SOL 5760 29.140 62.840 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18857 ATOM 18853 HW2 SOL 5760 30.380 63.900 70.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18858 ATOM 18854 OW SOL 5761 32.550 71.520 8.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18859 ATOM 18855 HW1 SOL 5761 32.540 71.330 7.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18860 ATOM 18856 HW2 SOL 5761 33.340 71.080 9.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18861 ATOM 18857 OW SOL 5762 21.850 68.140 20.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18862 ATOM 18858 HW1 SOL 5762 21.210 68.900 20.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18863 ATOM 18859 HW2 SOL 5762 21.560 67.610 21.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18864 ATOM 18860 OW SOL 5763 19.160 66.160 6.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18865 ATOM 18861 HW1 SOL 5763 19.860 66.720 5.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18866 ATOM 18862 HW2 SOL 5763 19.580 65.330 6.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18867 ATOM 18863 OW SOL 5764 24.370 70.620 16.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18868 ATOM 18864 HW1 SOL 5764 23.390 70.580 16.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18869 ATOM 18865 HW2 SOL 5764 24.520 71.350 15.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18870 ATOM 18866 OW SOL 5765 37.580 55.410 11.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18871 ATOM 18867 HW1 SOL 5765 38.320 56.080 11.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18872 ATOM 18868 HW2 SOL 5765 37.510 55.080 10.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18873 ATOM 18869 OW SOL 5766 20.590 62.310 4.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18874 ATOM 18870 HW1 SOL 5766 20.310 61.350 4.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18875 ATOM 18871 HW2 SOL 5766 20.910 62.530 5.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18876 ATOM 18872 OW SOL 5767 34.510 70.010 9.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18877 ATOM 18873 HW1 SOL 5767 34.440 69.640 8.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18878 ATOM 18874 HW2 SOL 5767 34.380 69.280 10.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18879 ATOM 18875 OW SOL 5768 23.620 60.440 13.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18880 ATOM 18876 HW1 SOL 5768 24.020 60.390 14.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18881 ATOM 18877 HW2 SOL 5768 24.310 60.720 12.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18882 ATOM 18878 OW SOL 5769 26.090 70.810 6.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18883 ATOM 18879 HW1 SOL 5769 26.650 70.820 5.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18884 ATOM 18880 HW2 SOL 5769 26.050 69.880 7.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18885 ATOM 18881 OW SOL 5770 33.180 57.310 11.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18886 ATOM 18882 HW1 SOL 5770 33.600 56.770 12.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18887 ATOM 18883 HW2 SOL 5770 32.220 57.500 11.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18888 ATOM 18884 OW SOL 5771 30.720 54.560 11.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18889 ATOM 18885 HW1 SOL 5771 29.950 54.600 10.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18890 ATOM 18886 HW2 SOL 5771 31.550 54.290 10.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18891 ATOM 18887 OW SOL 5772 25.980 68.240 3.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18892 ATOM 18888 HW1 SOL 5772 26.480 67.550 2.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18893 ATOM 18889 HW2 SOL 5772 25.180 67.820 3.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18894 ATOM 18890 OW SOL 5773 25.330 71.470 13.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18895 ATOM 18891 HW1 SOL 5773 25.880 72.030 13.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18896 ATOM 18892 HW2 SOL 5773 25.930 70.990 12.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18897 ATOM 18893 OW SOL 5774 32.390 56.110 0.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18898 ATOM 18894 HW1 SOL 5774 32.340 55.360 -0.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18899 ATOM 18895 HW2 SOL 5774 31.790 55.900 1.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18900 ATOM 18896 OW SOL 5775 32.430 59.360 6.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18901 ATOM 18897 HW1 SOL 5775 31.770 60.060 6.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18902 ATOM 18898 HW2 SOL 5775 32.590 59.400 7.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18903 ATOM 18899 OW SOL 5776 33.400 56.330 8.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18904 ATOM 18900 HW1 SOL 5776 33.650 56.390 9.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18905 ATOM 18901 HW2 SOL 5776 32.620 56.950 8.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18906 ATOM 18902 OW SOL 5777 17.110 64.820 2.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18907 ATOM 18903 HW1 SOL 5777 17.880 65.340 1.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18908 ATOM 18904 HW2 SOL 5777 17.380 64.340 3.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18909 ATOM 18905 OW SOL 5778 21.210 61.460 20.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18910 ATOM 18906 HW1 SOL 5778 20.550 62.060 21.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18911 ATOM 18907 HW2 SOL 5778 20.780 61.010 20.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18912 ATOM 18908 OW SOL 5779 21.300 60.140 28.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18913 ATOM 18909 HW1 SOL 5779 21.830 59.300 28.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18914 ATOM 18910 HW2 SOL 5779 20.330 59.920 28.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18915 ATOM 18911 OW SOL 5780 18.390 59.700 22.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18916 ATOM 18912 HW1 SOL 5780 17.730 59.630 23.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18917 ATOM 18913 HW2 SOL 5780 18.300 58.900 22.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18918 ATOM 18914 OW SOL 5781 23.700 69.710 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18919 ATOM 18915 HW1 SOL 5781 23.170 68.930 28.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18920 ATOM 18916 HW2 SOL 5781 23.330 70.030 30.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18921 ATOM 18917 OW SOL 5782 36.340 69.560 26.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18922 ATOM 18918 HW1 SOL 5782 36.590 69.880 27.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18923 ATOM 18919 HW2 SOL 5782 35.640 70.170 26.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18924 ATOM 18920 OW SOL 5783 28.740 62.790 24.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18925 ATOM 18921 HW1 SOL 5783 29.120 63.600 25.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18926 ATOM 18922 HW2 SOL 5783 27.740 62.780 24.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18927 ATOM 18923 OW SOL 5784 35.980 58.100 20.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18928 ATOM 18924 HW1 SOL 5784 35.800 58.520 19.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18929 ATOM 18925 HW2 SOL 5784 35.370 58.520 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18930 ATOM 18926 OW SOL 5785 26.180 68.800 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18931 ATOM 18927 HW1 SOL 5785 25.300 69.190 29.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18932 ATOM 18928 HW2 SOL 5785 26.550 69.280 28.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18933 ATOM 18929 OW SOL 5786 27.610 63.490 37.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18934 ATOM 18930 HW1 SOL 5786 27.470 64.120 38.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18935 ATOM 18931 HW2 SOL 5786 27.900 64.010 36.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18936 ATOM 18932 OW SOL 5787 25.350 67.260 25.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18937 ATOM 18933 HW1 SOL 5787 25.850 67.790 26.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18938 ATOM 18934 HW2 SOL 5787 24.370 67.390 25.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18939 ATOM 18935 OW SOL 5788 25.010 66.030 36.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18940 ATOM 18936 HW1 SOL 5788 25.700 66.580 36.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18941 ATOM 18937 HW2 SOL 5788 24.810 65.210 36.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18942 ATOM 18938 OW SOL 5789 20.350 69.750 28.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18943 ATOM 18939 HW1 SOL 5789 20.000 70.230 29.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18944 ATOM 18940 HW2 SOL 5789 20.680 70.410 28.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18945 ATOM 18941 OW SOL 5790 33.050 69.750 34.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18946 ATOM 18942 HW1 SOL 5790 33.860 70.320 34.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18947 ATOM 18943 HW2 SOL 5790 32.230 70.320 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18948 ATOM 18944 OW SOL 5791 22.270 59.550 33.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18949 ATOM 18945 HW1 SOL 5791 23.030 59.270 32.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18950 ATOM 18946 HW2 SOL 5791 21.780 58.730 33.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18951 ATOM 18947 OW SOL 5792 35.350 58.960 25.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18952 ATOM 18948 HW1 SOL 5792 35.560 58.390 26.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18953 ATOM 18949 HW2 SOL 5792 34.600 59.590 25.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18954 ATOM 18950 OW SOL 5793 28.470 67.640 33.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18955 ATOM 18951 HW1 SOL 5793 27.800 67.960 32.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18956 ATOM 18952 HW2 SOL 5793 28.970 66.860 33.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18957 ATOM 18953 OW SOL 5794 19.220 0.960 23.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18958 ATOM 18954 HW1 SOL 5794 20.030 1.540 23.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18959 ATOM 18955 HW2 SOL 5794 18.960 0.590 24.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18960 ATOM 18956 OW SOL 5795 22.300 67.780 28.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18961 ATOM 18957 HW1 SOL 5795 21.510 68.380 28.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18962 ATOM 18958 HW2 SOL 5795 22.040 66.830 28.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18963 ATOM 18959 OW SOL 5796 24.760 65.540 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18964 ATOM 18960 HW1 SOL 5796 25.130 65.440 20.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18965 ATOM 18961 HW2 SOL 5796 25.410 66.030 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18966 ATOM 18962 OW SOL 5797 33.860 57.280 33.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18967 ATOM 18963 HW1 SOL 5797 33.410 56.510 33.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18968 ATOM 18964 HW2 SOL 5797 33.740 57.210 34.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18969 ATOM 18965 OW SOL 5798 19.530 63.480 25.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18970 ATOM 18966 HW1 SOL 5798 18.740 62.890 25.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18971 ATOM 18967 HW2 SOL 5798 19.480 64.290 25.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18972 ATOM 18968 OW SOL 5799 17.810 71.550 22.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18973 ATOM 18969 HW1 SOL 5799 18.520 70.850 22.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18974 ATOM 18970 HW2 SOL 5799 18.210 72.400 22.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18975 ATOM 18971 OW SOL 5800 33.490 64.650 24.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18976 ATOM 18972 HW1 SOL 5800 33.700 64.280 25.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18977 ATOM 18973 HW2 SOL 5800 34.130 65.400 24.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18978 ATOM 18974 OW SOL 5801 35.380 66.460 23.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18979 ATOM 18975 HW1 SOL 5801 35.590 65.880 22.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18980 ATOM 18976 HW2 SOL 5801 36.210 66.940 24.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18981 ATOM 18977 OW SOL 5802 20.750 63.890 34.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18982 ATOM 18978 HW1 SOL 5802 20.660 64.590 34.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18983 ATOM 18979 HW2 SOL 5802 20.080 63.170 34.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18984 ATOM 18980 OW SOL 5803 23.650 70.890 26.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18985 ATOM 18981 HW1 SOL 5803 24.300 70.740 27.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18986 ATOM 18982 HW2 SOL 5803 23.400 70.000 26.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18987 ATOM 18983 OW SOL 5804 30.250 65.810 33.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18988 ATOM 18984 HW1 SOL 5804 30.670 65.750 32.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18989 ATOM 18985 HW2 SOL 5804 30.950 66.060 33.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18990 ATOM 18986 OW SOL 5805 26.380 53.950 22.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18991 ATOM 18987 HW1 SOL 5805 26.740 53.240 23.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18992 ATOM 18988 HW2 SOL 5805 26.490 54.850 23.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18993 ATOM 18989 OW SOL 5806 20.200 65.650 32.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18994 ATOM 18990 HW1 SOL 5806 21.130 65.380 32.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18995 ATOM 18991 HW2 SOL 5806 19.840 66.310 32.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18996 ATOM 18992 OW SOL 5807 32.780 64.510 22.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18997 ATOM 18993 HW1 SOL 5807 32.020 63.960 21.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18998 ATOM 18994 HW2 SOL 5807 32.830 64.410 23.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
18999 ATOM 18995 OW SOL 5808 22.110 59.560 36.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19000 ATOM 18996 HW1 SOL 5808 22.520 60.030 37.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19001 ATOM 18997 HW2 SOL 5808 22.060 60.180 35.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19002 ATOM 18998 OW SOL 5809 33.330 72.470 26.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19003 ATOM 18999 HW1 SOL 5809 33.890 72.770 26.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19004 ATOM 19000 HW2 SOL 5809 32.400 72.840 26.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19005 ATOM 19001 OW SOL 5810 23.990 63.480 23.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19006 ATOM 19002 HW1 SOL 5810 24.420 64.130 22.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19007 ATOM 19003 HW2 SOL 5810 23.390 63.980 23.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19008 ATOM 19004 OW SOL 5811 30.720 58.960 29.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19009 ATOM 19005 HW1 SOL 5811 29.860 58.710 29.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19010 ATOM 19006 HW2 SOL 5811 31.410 58.260 29.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19011 ATOM 19007 OW SOL 5812 34.180 70.440 21.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19012 ATOM 19008 HW1 SOL 5812 34.320 69.500 22.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19013 ATOM 19009 HW2 SOL 5812 34.930 70.710 21.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19014 ATOM 19010 OW SOL 5813 26.190 61.750 31.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19015 ATOM 19011 HW1 SOL 5813 26.300 60.820 32.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19016 ATOM 19012 HW2 SOL 5813 25.620 61.750 30.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19017 ATOM 19013 OW SOL 5814 30.890 58.290 34.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19018 ATOM 19014 HW1 SOL 5814 31.840 58.600 34.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19019 ATOM 19015 HW2 SOL 5814 30.880 57.330 35.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19020 ATOM 19016 OW SOL 5815 28.760 64.400 35.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19021 ATOM 19017 HW1 SOL 5815 29.290 63.580 35.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19022 ATOM 19018 HW2 SOL 5815 28.830 65.030 34.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19023 ATOM 19019 OW SOL 5816 27.190 62.000 28.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19024 ATOM 19020 HW1 SOL 5816 26.260 62.360 28.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19025 ATOM 19021 HW2 SOL 5816 27.310 61.230 27.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19026 ATOM 19022 OW SOL 5817 28.510 61.740 22.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19027 ATOM 19023 HW1 SOL 5817 28.560 62.390 22.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19028 ATOM 19024 HW2 SOL 5817 27.680 61.180 22.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19029 ATOM 19025 OW SOL 5818 19.360 65.800 27.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19030 ATOM 19026 HW1 SOL 5818 20.160 65.750 27.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19031 ATOM 19027 HW2 SOL 5818 18.760 66.530 27.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19032 ATOM 19028 OW SOL 5819 21.840 0.960 34.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19033 ATOM 19029 HW1 SOL 5819 21.140 0.310 34.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19034 ATOM 19030 HW2 SOL 5819 22.610 0.460 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19035 ATOM 19031 OW SOL 5820 27.680 58.700 19.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19036 ATOM 19032 HW1 SOL 5820 26.840 58.220 18.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19037 ATOM 19033 HW2 SOL 5820 28.470 58.250 18.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19038 ATOM 19034 OW SOL 5821 36.010 61.160 36.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19039 ATOM 19035 HW1 SOL 5821 36.300 62.030 35.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19040 ATOM 19036 HW2 SOL 5821 35.590 60.600 35.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19041 ATOM 19037 OW SOL 5822 33.610 67.860 25.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19042 ATOM 19038 HW1 SOL 5822 33.330 68.340 24.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19043 ATOM 19039 HW2 SOL 5822 34.380 67.260 25.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19044 ATOM 19040 OW SOL 5823 22.560 57.160 26.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19045 ATOM 19041 HW1 SOL 5823 22.230 56.780 27.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19046 ATOM 19042 HW2 SOL 5823 21.900 57.830 26.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19047 ATOM 19043 OW SOL 5824 31.910 71.430 20.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19048 ATOM 19044 HW1 SOL 5824 31.630 72.320 20.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19049 ATOM 19045 HW2 SOL 5824 32.640 71.050 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19050 ATOM 19046 OW SOL 5825 23.760 0.880 25.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19051 ATOM 19047 HW1 SOL 5825 23.690 0.020 25.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19052 ATOM 19048 HW2 SOL 5825 22.970 1.460 25.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19053 ATOM 19049 OW SOL 5826 37.280 65.620 26.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19054 ATOM 19050 HW1 SOL 5826 37.350 66.400 25.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19055 ATOM 19051 HW2 SOL 5826 36.790 65.900 27.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19056 ATOM 19052 OW SOL 5827 31.010 71.560 33.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19057 ATOM 19053 HW1 SOL 5827 30.470 71.790 34.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19058 ATOM 19054 HW2 SOL 5827 31.030 72.340 33.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19059 ATOM 19055 OW SOL 5828 22.090 64.930 21.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19060 ATOM 19056 HW1 SOL 5828 23.070 65.150 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19061 ATOM 19057 HW2 SOL 5828 21.980 63.950 20.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19062 ATOM 19058 OW SOL 5829 30.950 64.380 25.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19063 ATOM 19059 HW1 SOL 5829 31.010 63.770 26.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19064 ATOM 19060 HW2 SOL 5829 31.860 64.550 25.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19065 ATOM 19061 OW SOL 5830 22.970 70.540 35.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19066 ATOM 19062 HW1 SOL 5830 23.630 70.840 36.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19067 ATOM 19063 HW2 SOL 5830 22.180 70.130 36.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19068 ATOM 19064 OW SOL 5831 20.950 57.050 33.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19069 ATOM 19065 HW1 SOL 5831 20.390 56.280 33.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19070 ATOM 19066 HW2 SOL 5831 20.840 57.200 34.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19071 ATOM 19067 OW SOL 5832 35.080 67.850 19.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19072 ATOM 19068 HW1 SOL 5832 34.810 68.370 18.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19073 ATOM 19069 HW2 SOL 5832 34.340 67.220 19.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19074 ATOM 19070 OW SOL 5833 31.960 57.100 22.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19075 ATOM 19071 HW1 SOL 5833 31.760 56.900 21.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19076 ATOM 19072 HW2 SOL 5833 31.930 56.260 23.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19077 ATOM 19073 OW SOL 5834 21.910 64.860 24.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19078 ATOM 19074 HW1 SOL 5834 21.160 64.240 24.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19079 ATOM 19075 HW2 SOL 5834 21.570 65.590 23.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19080 ATOM 19076 OW SOL 5835 33.400 57.100 36.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19081 ATOM 19077 HW1 SOL 5835 33.640 57.610 37.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19082 ATOM 19078 HW2 SOL 5835 33.240 56.140 36.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19083 ATOM 19079 OW SOL 5836 25.490 57.030 18.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19084 ATOM 19080 HW1 SOL 5836 25.840 56.100 18.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19085 ATOM 19081 HW2 SOL 5836 25.000 57.340 17.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19086 ATOM 19082 OW SOL 5837 25.360 57.500 34.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19087 ATOM 19083 HW1 SOL 5837 26.320 57.380 34.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19088 ATOM 19084 HW2 SOL 5837 25.030 58.370 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19089 ATOM 19085 OW SOL 5838 29.470 71.670 28.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19090 ATOM 19086 HW1 SOL 5838 29.900 70.780 29.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19091 ATOM 19087 HW2 SOL 5838 28.690 71.540 28.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19092 ATOM 19088 OW SOL 5839 32.630 61.250 32.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19093 ATOM 19089 HW1 SOL 5839 33.410 61.090 32.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19094 ATOM 19090 HW2 SOL 5839 32.770 62.110 31.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19095 ATOM 19091 OW SOL 5840 27.130 69.650 26.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19096 ATOM 19092 HW1 SOL 5840 28.100 69.420 26.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19097 ATOM 19093 HW2 SOL 5840 26.780 69.830 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19098 ATOM 19094 OW SOL 5841 26.060 62.580 24.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19099 ATOM 19095 HW1 SOL 5841 25.510 63.100 25.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19100 ATOM 19096 HW2 SOL 5841 25.460 62.250 23.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19101 ATOM 19097 OW SOL 5842 23.660 56.710 23.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19102 ATOM 19098 HW1 SOL 5842 23.260 56.900 24.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19103 ATOM 19099 HW2 SOL 5842 23.530 57.500 23.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19104 ATOM 19100 OW SOL 5843 32.880 66.030 19.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19105 ATOM 19101 HW1 SOL 5843 33.080 65.440 20.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19106 ATOM 19102 HW2 SOL 5843 32.230 66.740 19.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19107 ATOM 19103 OW SOL 5844 22.170 56.140 20.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19108 ATOM 19104 HW1 SOL 5844 23.070 56.560 20.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19109 ATOM 19105 HW2 SOL 5844 21.720 56.070 20.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19110 ATOM 19106 OW SOL 5845 27.320 59.180 23.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19111 ATOM 19107 HW1 SOL 5845 27.100 59.420 23.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19112 ATOM 19108 HW2 SOL 5845 28.250 58.820 24.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19113 ATOM 19109 OW SOL 5846 29.360 61.730 34.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19114 ATOM 19110 HW1 SOL 5846 29.060 61.510 35.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19115 ATOM 19111 HW2 SOL 5846 29.460 60.880 33.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19116 ATOM 19112 OW SOL 5847 29.780 1.810 25.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19117 ATOM 19113 HW1 SOL 5847 29.340 1.270 24.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19118 ATOM 19114 HW2 SOL 5847 30.740 1.960 24.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19119 ATOM 19115 OW SOL 5848 22.870 68.150 25.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19120 ATOM 19116 HW1 SOL 5848 22.660 67.800 26.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19121 ATOM 19117 HW2 SOL 5848 22.070 68.060 25.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19122 ATOM 19118 OW SOL 5849 29.950 59.850 18.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19123 ATOM 19119 HW1 SOL 5849 28.980 59.800 18.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19124 ATOM 19120 HW2 SOL 5849 30.490 59.400 18.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19125 ATOM 19121 OW SOL 5850 18.360 63.650 32.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19126 ATOM 19122 HW1 SOL 5850 18.970 64.430 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19127 ATOM 19123 HW2 SOL 5850 18.660 62.900 32.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19128 ATOM 19124 OW SOL 5851 22.760 58.140 29.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19129 ATOM 19125 HW1 SOL 5851 23.460 57.980 30.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19130 ATOM 19126 HW2 SOL 5851 21.870 57.830 29.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19131 ATOM 19127 OW SOL 5852 26.550 56.500 24.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19132 ATOM 19128 HW1 SOL 5852 25.560 56.560 24.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19133 ATOM 19129 HW2 SOL 5852 26.950 57.420 24.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19134 ATOM 19130 OW SOL 5853 33.120 65.560 27.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19135 ATOM 19131 HW1 SOL 5853 32.430 64.850 27.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19136 ATOM 19132 HW2 SOL 5853 32.710 66.300 26.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19137 ATOM 19133 OW SOL 5854 31.690 60.890 27.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19138 ATOM 19134 HW1 SOL 5854 31.600 60.260 28.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19139 ATOM 19135 HW2 SOL 5854 32.640 60.890 27.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19140 ATOM 19136 OW SOL 5855 35.580 62.730 23.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19141 ATOM 19137 HW1 SOL 5855 36.100 62.800 24.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19142 ATOM 19138 HW2 SOL 5855 34.600 62.730 23.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19143 ATOM 19139 OW SOL 5856 25.620 68.950 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19144 ATOM 19140 HW1 SOL 5856 25.890 68.010 21.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19145 ATOM 19141 HW2 SOL 5856 25.060 68.960 20.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19146 ATOM 19142 OW SOL 5857 37.510 67.870 24.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19147 ATOM 19143 HW1 SOL 5857 38.270 68.300 24.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19148 ATOM 19144 HW2 SOL 5857 36.870 68.570 25.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19149 ATOM 19145 OW SOL 5858 32.920 57.850 20.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19150 ATOM 19146 HW1 SOL 5858 32.110 58.420 20.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19151 ATOM 19147 HW2 SOL 5858 33.710 58.260 20.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19152 ATOM 19148 OW SOL 5859 23.470 58.610 22.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19153 ATOM 19149 HW1 SOL 5859 24.280 58.400 21.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19154 ATOM 19150 HW2 SOL 5859 23.330 59.600 22.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19155 ATOM 19151 OW SOL 5860 36.490 68.020 33.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19156 ATOM 19152 HW1 SOL 5860 37.160 67.280 33.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19157 ATOM 19153 HW2 SOL 5860 36.880 68.860 33.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19158 ATOM 19154 OW SOL 5861 27.510 69.130 31.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19159 ATOM 19155 HW1 SOL 5861 27.020 68.960 30.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19160 ATOM 19156 HW2 SOL 5861 27.260 70.020 31.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19161 ATOM 19157 OW SOL 5862 35.250 71.580 34.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19162 ATOM 19158 HW1 SOL 5862 35.230 72.120 33.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19163 ATOM 19159 HW2 SOL 5862 36.130 71.110 34.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19164 ATOM 19160 OW SOL 5863 30.050 68.490 30.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19165 ATOM 19161 HW1 SOL 5863 29.150 68.610 30.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19166 ATOM 19162 HW2 SOL 5863 29.960 68.480 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19167 ATOM 19163 OW SOL 5864 35.850 66.520 28.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19168 ATOM 19164 HW1 SOL 5864 35.910 67.480 28.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19169 ATOM 19165 HW2 SOL 5864 35.020 66.370 27.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19170 ATOM 19166 OW SOL 5865 27.640 56.730 30.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19171 ATOM 19167 HW1 SOL 5865 28.030 57.120 29.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19172 ATOM 19168 HW2 SOL 5865 28.190 57.000 31.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19173 ATOM 19169 OW SOL 5866 27.170 67.440 36.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19174 ATOM 19170 HW1 SOL 5866 27.510 67.630 35.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19175 ATOM 19171 HW2 SOL 5866 27.790 66.810 36.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19176 ATOM 19172 OW SOL 5867 26.360 66.630 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19177 ATOM 19173 HW1 SOL 5867 25.990 66.750 24.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19178 ATOM 19174 HW2 SOL 5867 27.110 65.970 23.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19179 ATOM 19175 OW SOL 5868 22.330 64.320 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19180 ATOM 19176 HW1 SOL 5868 23.210 64.290 31.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19181 ATOM 19177 HW2 SOL 5868 22.040 63.380 31.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19182 ATOM 19178 OW SOL 5869 30.170 60.140 32.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19183 ATOM 19179 HW1 SOL 5869 30.980 60.670 32.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19184 ATOM 19180 HW2 SOL 5869 30.210 59.940 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19185 ATOM 19181 OW SOL 5870 16.040 1.060 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19186 ATOM 19182 HW1 SOL 5870 16.010 0.630 31.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19187 ATOM 19183 HW2 SOL 5870 16.410 0.410 33.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19188 ATOM 19184 OW SOL 5871 21.030 68.160 24.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19189 ATOM 19185 HW1 SOL 5871 21.070 69.130 23.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19190 ATOM 19186 HW2 SOL 5871 20.650 67.650 23.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19191 ATOM 19187 OW SOL 5872 23.360 60.610 25.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19192 ATOM 19188 HW1 SOL 5872 23.660 61.560 25.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19193 ATOM 19189 HW2 SOL 5872 23.870 60.150 26.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19194 ATOM 19190 OW SOL 5873 32.490 69.630 27.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19195 ATOM 19191 HW1 SOL 5873 32.930 68.980 26.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19196 ATOM 19192 HW2 SOL 5873 32.960 70.510 27.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19197 ATOM 19193 OW SOL 5874 31.980 70.480 31.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19198 ATOM 19194 HW1 SOL 5874 31.760 70.640 32.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19199 ATOM 19195 HW2 SOL 5874 31.580 69.610 30.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19200 ATOM 19196 OW SOL 5875 32.280 61.080 22.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19201 ATOM 19197 HW1 SOL 5875 31.920 61.070 23.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19202 ATOM 19198 HW2 SOL 5875 31.830 61.800 22.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19203 ATOM 19199 OW SOL 5876 22.470 70.680 31.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19204 ATOM 19200 HW1 SOL 5876 21.480 70.540 31.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19205 ATOM 19201 HW2 SOL 5876 22.740 71.180 32.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19206 ATOM 19202 OW SOL 5877 24.360 63.710 35.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19207 ATOM 19203 HW1 SOL 5877 24.620 64.090 34.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19208 ATOM 19204 HW2 SOL 5877 23.810 62.880 35.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19209 ATOM 19205 OW SOL 5878 36.170 63.540 35.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19210 ATOM 19206 HW1 SOL 5878 35.270 63.570 34.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19211 ATOM 19207 HW2 SOL 5878 36.880 63.740 34.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19212 ATOM 19208 OW SOL 5879 29.490 57.230 32.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19213 ATOM 19209 HW1 SOL 5879 30.020 58.070 32.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19214 ATOM 19210 HW2 SOL 5879 29.730 56.690 33.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19215 ATOM 19211 OW SOL 5880 23.450 55.490 34.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19216 ATOM 19212 HW1 SOL 5880 22.530 55.800 34.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19217 ATOM 19213 HW2 SOL 5880 24.100 56.250 34.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19218 ATOM 19214 OW SOL 5881 25.090 66.360 28.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19219 ATOM 19215 HW1 SOL 5881 25.560 67.230 29.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19220 ATOM 19216 HW2 SOL 5881 24.140 66.420 29.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19221 ATOM 19217 OW SOL 5882 31.300 63.600 28.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19222 ATOM 19218 HW1 SOL 5882 30.790 63.570 28.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19223 ATOM 19219 HW2 SOL 5882 31.510 62.670 27.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19224 ATOM 19220 OW SOL 5883 30.550 59.500 21.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19225 ATOM 19221 HW1 SOL 5883 31.200 59.800 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19226 ATOM 19222 HW2 SOL 5883 29.730 60.060 21.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19227 ATOM 19223 OW SOL 5884 20.370 57.220 30.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19228 ATOM 19224 HW1 SOL 5884 19.980 57.680 31.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19229 ATOM 19225 HW2 SOL 5884 19.850 56.380 30.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19230 ATOM 19226 OW SOL 5885 19.240 70.930 31.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19231 ATOM 19227 HW1 SOL 5885 18.700 71.120 31.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19232 ATOM 19228 HW2 SOL 5885 18.680 71.070 30.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19233 ATOM 19229 OW SOL 5886 24.970 63.430 28.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19234 ATOM 19230 HW1 SOL 5886 24.600 63.840 27.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19235 ATOM 19231 HW2 SOL 5886 25.230 64.150 28.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19236 ATOM 19232 OW SOL 5887 36.890 64.370 37.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19237 ATOM 19233 HW1 SOL 5887 36.690 64.060 36.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19238 ATOM 19234 HW2 SOL 5887 36.100 64.190 38.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19239 ATOM 19235 OW SOL 5888 20.940 57.450 22.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19240 ATOM 19236 HW1 SOL 5888 21.770 58.000 22.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19241 ATOM 19237 HW2 SOL 5888 20.270 57.930 23.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19242 ATOM 19238 OW SOL 5889 34.340 59.270 22.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19243 ATOM 19239 HW1 SOL 5889 34.550 59.120 23.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19244 ATOM 19240 HW2 SOL 5889 33.700 60.030 22.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19245 ATOM 19241 OW SOL 5890 29.040 63.720 29.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19246 ATOM 19242 HW1 SOL 5890 29.110 63.520 30.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19247 ATOM 19243 HW2 SOL 5890 28.550 62.970 29.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19248 ATOM 19244 OW SOL 5891 29.420 71.460 35.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19249 ATOM 19245 HW1 SOL 5891 28.440 71.420 36.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19250 ATOM 19246 HW2 SOL 5891 29.800 70.540 35.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19251 ATOM 19247 OW SOL 5892 37.730 70.350 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19252 ATOM 19248 HW1 SOL 5892 38.070 71.030 32.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19253 ATOM 19249 HW2 SOL 5892 38.320 70.350 33.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19254 ATOM 19250 OW SOL 5893 22.210 64.320 37.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19255 ATOM 19251 HW1 SOL 5893 23.150 64.350 36.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19256 ATOM 19252 HW2 SOL 5893 21.590 64.450 36.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19257 ATOM 19253 OW SOL 5894 33.350 55.550 18.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19258 ATOM 19254 HW1 SOL 5894 33.410 54.800 19.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19259 ATOM 19255 HW2 SOL 5894 33.150 56.400 19.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19260 ATOM 19256 OW SOL 5895 31.220 62.230 17.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19261 ATOM 19257 HW1 SOL 5895 30.550 61.500 17.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19262 ATOM 19258 HW2 SOL 5895 31.500 62.590 17.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19263 ATOM 19259 OW SOL 5896 29.790 68.970 27.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19264 ATOM 19260 HW1 SOL 5896 29.640 68.190 26.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19265 ATOM 19261 HW2 SOL 5896 30.630 69.440 27.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19266 ATOM 19262 OW SOL 5897 21.640 65.150 28.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19267 ATOM 19263 HW1 SOL 5897 21.440 64.220 28.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19268 ATOM 19264 HW2 SOL 5897 21.920 65.120 29.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19269 ATOM 19265 OW SOL 5898 20.920 62.730 27.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19270 ATOM 19266 HW1 SOL 5898 21.110 61.830 28.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19271 ATOM 19267 HW2 SOL 5898 20.520 62.620 27.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19272 ATOM 19268 OW SOL 5899 28.130 58.550 35.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19273 ATOM 19269 HW1 SOL 5899 28.000 59.360 35.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19274 ATOM 19270 HW2 SOL 5899 29.070 58.220 35.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19275 ATOM 19271 OW SOL 5900 27.360 59.270 32.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19276 ATOM 19272 HW1 SOL 5900 27.360 58.910 33.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19277 ATOM 19273 HW2 SOL 5900 27.950 58.710 32.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19278 ATOM 19274 OW SOL 5901 17.390 69.350 19.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19279 ATOM 19275 HW1 SOL 5901 16.490 69.770 19.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19280 ATOM 19276 HW2 SOL 5901 17.300 68.360 19.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19281 ATOM 19277 OW SOL 5902 21.210 71.960 27.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19282 ATOM 19278 HW1 SOL 5902 21.390 72.750 28.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19283 ATOM 19279 HW2 SOL 5902 22.040 71.720 27.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19284 ATOM 19280 OW SOL 5903 28.460 63.050 32.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19285 ATOM 19281 HW1 SOL 5903 28.930 62.810 33.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19286 ATOM 19282 HW2 SOL 5903 27.580 62.580 32.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19287 ATOM 19283 OW SOL 5904 16.540 64.670 29.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19288 ATOM 19284 HW1 SOL 5904 16.150 65.570 29.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19289 ATOM 19285 HW2 SOL 5904 17.510 64.770 28.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19290 ATOM 19286 OW SOL 5905 22.580 61.810 34.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19291 ATOM 19287 HW1 SOL 5905 22.560 61.180 34.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19292 ATOM 19288 HW2 SOL 5905 21.950 62.570 34.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19293 ATOM 19289 OW SOL 5906 33.500 64.070 34.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19294 ATOM 19290 HW1 SOL 5906 33.230 64.950 34.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19295 ATOM 19291 HW2 SOL 5906 33.520 64.140 33.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19296 ATOM 19292 OW SOL 5907 26.380 59.570 21.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19297 ATOM 19293 HW1 SOL 5907 26.970 59.440 20.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19298 ATOM 19294 HW2 SOL 5907 25.490 59.910 21.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19299 ATOM 19295 OW SOL 5908 34.350 60.790 27.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19300 ATOM 19296 HW1 SOL 5908 34.800 60.130 27.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19301 ATOM 19297 HW2 SOL 5908 35.020 61.460 26.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19302 ATOM 19298 OW SOL 5909 19.370 71.560 35.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19303 ATOM 19299 HW1 SOL 5909 18.640 72.000 36.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19304 ATOM 19300 HW2 SOL 5909 19.860 70.920 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19305 ATOM 19301 OW SOL 5910 24.040 61.170 29.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19306 ATOM 19302 HW1 SOL 5910 23.160 61.360 30.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19307 ATOM 19303 HW2 SOL 5910 24.340 61.960 29.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19308 ATOM 19304 OW SOL 5911 23.820 61.330 21.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19309 ATOM 19305 HW1 SOL 5911 23.930 61.950 22.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19310 ATOM 19306 HW2 SOL 5911 22.930 61.500 21.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19311 ATOM 19307 OW SOL 5912 18.680 66.820 34.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19312 ATOM 19308 HW1 SOL 5912 18.940 66.790 35.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19313 ATOM 19309 HW2 SOL 5912 19.360 66.320 34.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19314 ATOM 19310 OW SOL 5913 32.000 66.510 31.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19315 ATOM 19311 HW1 SOL 5913 31.210 66.970 30.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19316 ATOM 19312 HW2 SOL 5913 32.730 67.170 31.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19317 ATOM 19313 OW SOL 5914 30.930 62.810 20.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19318 ATOM 19314 HW1 SOL 5914 30.020 62.430 20.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19319 ATOM 19315 HW2 SOL 5914 31.310 63.050 19.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19320 ATOM 19316 OW SOL 5915 36.820 71.410 29.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19321 ATOM 19317 HW1 SOL 5915 37.220 71.770 28.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19322 ATOM 19318 HW2 SOL 5915 35.830 71.580 29.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19323 ATOM 19319 OW SOL 5916 30.950 0.920 27.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19324 ATOM 19320 HW1 SOL 5916 30.200 1.200 26.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19325 ATOM 19321 HW2 SOL 5916 30.660 0.120 27.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19326 ATOM 19322 OW SOL 5917 18.930 67.320 31.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19327 ATOM 19323 HW1 SOL 5917 18.140 67.710 31.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19328 ATOM 19324 HW2 SOL 5917 19.070 67.770 30.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19329 ATOM 19325 OW SOL 5918 35.230 55.950 23.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19330 ATOM 19326 HW1 SOL 5918 35.590 55.880 22.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19331 ATOM 19327 HW2 SOL 5918 34.350 56.430 23.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19332 ATOM 19328 OW SOL 5919 35.190 71.280 24.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19333 ATOM 19329 HW1 SOL 5919 34.820 70.900 23.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19334 ATOM 19330 HW2 SOL 5919 35.030 72.260 24.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19335 ATOM 19331 OW SOL 5920 17.970 1.770 38.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19336 ATOM 19332 HW1 SOL 5920 17.500 2.640 38.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19337 ATOM 19333 HW2 SOL 5920 18.960 1.920 38.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19338 ATOM 19334 OW SOL 5921 32.780 67.450 22.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19339 ATOM 19335 HW1 SOL 5921 31.850 67.510 22.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19340 ATOM 19336 HW2 SOL 5921 33.020 66.490 22.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19341 ATOM 19337 OW SOL 5922 26.910 71.930 32.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19342 ATOM 19338 HW1 SOL 5922 26.720 72.310 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19343 ATOM 19339 HW2 SOL 5922 26.150 72.160 31.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19344 ATOM 19340 OW SOL 5923 26.990 71.380 21.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19345 ATOM 19341 HW1 SOL 5923 27.740 71.540 22.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19346 ATOM 19342 HW2 SOL 5923 26.900 70.400 21.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19347 ATOM 19343 OW SOL 5924 35.950 56.020 26.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19348 ATOM 19344 HW1 SOL 5924 35.870 55.850 25.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19349 ATOM 19345 HW2 SOL 5924 35.130 56.490 27.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19350 ATOM 19346 OW SOL 5925 18.310 60.860 26.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19351 ATOM 19347 HW1 SOL 5925 17.450 61.140 27.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19352 ATOM 19348 HW2 SOL 5925 18.600 59.990 27.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19353 ATOM 19349 OW SOL 5926 30.970 71.270 18.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19354 ATOM 19350 HW1 SOL 5926 31.220 71.180 18.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19355 ATOM 19351 HW2 SOL 5926 31.530 71.980 17.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19356 ATOM 19352 OW SOL 5927 27.250 65.550 31.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19357 ATOM 19353 HW1 SOL 5927 27.820 64.830 32.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19358 ATOM 19354 HW2 SOL 5927 27.080 65.330 30.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19359 ATOM 19355 OW SOL 5928 28.390 64.900 22.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19360 ATOM 19356 HW1 SOL 5928 28.080 64.870 21.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19361 ATOM 19357 HW2 SOL 5928 29.180 64.300 22.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19362 ATOM 19358 OW SOL 5929 23.590 71.730 33.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19363 ATOM 19359 HW1 SOL 5929 24.510 72.120 33.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19364 ATOM 19360 HW2 SOL 5929 23.390 71.220 34.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19365 ATOM 19361 OW SOL 5930 34.220 67.920 31.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19366 ATOM 19362 HW1 SOL 5930 35.120 67.530 32.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19367 ATOM 19363 HW2 SOL 5930 33.890 68.450 32.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19368 ATOM 19364 OW SOL 5931 28.910 66.550 25.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19369 ATOM 19365 HW1 SOL 5931 28.290 66.360 26.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19370 ATOM 19366 HW2 SOL 5931 29.590 65.820 25.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19371 ATOM 19367 OW SOL 5932 28.880 57.630 27.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19372 ATOM 19368 HW1 SOL 5932 28.950 56.870 27.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19373 ATOM 19369 HW2 SOL 5932 28.440 58.410 27.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19374 ATOM 19370 OW SOL 5933 25.210 70.560 24.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19375 ATOM 19371 HW1 SOL 5933 24.250 70.310 24.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19376 ATOM 19372 HW2 SOL 5933 25.520 70.270 23.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19377 ATOM 19373 OW SOL 5934 35.920 60.690 31.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19378 ATOM 19374 HW1 SOL 5934 36.780 61.200 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19379 ATOM 19375 HW2 SOL 5934 35.770 60.410 30.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19380 ATOM 19376 OW SOL 5935 20.420 70.580 22.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19381 ATOM 19377 HW1 SOL 5935 20.640 70.450 22.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19382 ATOM 19378 HW2 SOL 5935 20.260 71.550 23.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19383 ATOM 19379 OW SOL 5936 20.370 66.740 37.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19384 ATOM 19380 HW1 SOL 5936 19.480 66.570 37.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19385 ATOM 19381 HW2 SOL 5936 21.060 66.150 37.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19386 ATOM 19382 OW SOL 5937 24.710 58.190 31.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19387 ATOM 19383 HW1 SOL 5937 25.600 58.610 31.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19388 ATOM 19384 HW2 SOL 5937 24.830 57.380 32.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19389 ATOM 19385 OW SOL 5938 20.100 60.310 18.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19390 ATOM 19386 HW1 SOL 5938 20.140 59.610 18.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19391 ATOM 19387 HW2 SOL 5938 19.850 61.190 18.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19392 ATOM 19388 OW SOL 5939 33.200 63.830 31.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19393 ATOM 19389 HW1 SOL 5939 32.670 64.590 31.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19394 ATOM 19390 HW2 SOL 5939 34.080 63.780 30.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19395 ATOM 19391 OW SOL 5940 19.620 56.410 18.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19396 ATOM 19392 HW1 SOL 5940 19.580 57.090 18.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19397 ATOM 19393 HW2 SOL 5940 20.480 56.500 19.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19398 ATOM 19394 OW SOL 5941 31.660 68.490 19.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19399 ATOM 19395 HW1 SOL 5941 31.810 68.910 20.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19400 ATOM 19396 HW2 SOL 5941 31.710 69.190 18.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19401 ATOM 19397 OW SOL 5942 25.100 64.170 32.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19402 ATOM 19398 HW1 SOL 5942 25.830 64.850 32.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19403 ATOM 19399 HW2 SOL 5942 25.400 63.340 32.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19404 ATOM 19400 OW SOL 5943 34.520 1.280 24.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19405 ATOM 19401 HW1 SOL 5943 34.710 2.070 25.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19406 ATOM 19402 HW2 SOL 5943 34.580 1.560 23.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19407 ATOM 19403 OW SOL 5944 24.540 59.700 35.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19408 ATOM 19404 HW1 SOL 5944 23.590 59.520 36.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19409 ATOM 19405 HW2 SOL 5944 24.950 60.340 36.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19410 ATOM 19406 OW SOL 5945 32.470 66.570 34.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19411 ATOM 19407 HW1 SOL 5945 33.050 66.420 35.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19412 ATOM 19408 HW2 SOL 5945 32.590 67.500 34.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19413 ATOM 19409 OW SOL 5946 36.040 64.280 30.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19414 ATOM 19410 HW1 SOL 5946 36.760 63.860 29.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19415 ATOM 19411 HW2 SOL 5946 35.900 65.230 30.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19416 ATOM 19412 OW SOL 5947 29.920 58.940 24.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19417 ATOM 19413 HW1 SOL 5947 30.310 59.740 24.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19418 ATOM 19414 HW2 SOL 5947 30.660 58.380 23.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19419 ATOM 19415 OW SOL 5948 24.110 64.680 26.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19420 ATOM 19416 HW1 SOL 5948 23.170 64.680 25.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19421 ATOM 19417 HW2 SOL 5948 24.610 65.430 25.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19422 ATOM 19418 OW SOL 5949 35.070 59.890 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19423 ATOM 19419 HW1 SOL 5949 35.440 60.050 33.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19424 ATOM 19420 HW2 SOL 5949 34.700 58.970 34.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19425 ATOM 19421 OW SOL 5950 37.530 63.890 32.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19426 ATOM 19422 HW1 SOL 5950 37.860 64.740 33.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19427 ATOM 19423 HW2 SOL 5950 36.860 64.110 31.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19428 ATOM 19424 OW SOL 5951 29.310 69.370 22.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19429 ATOM 19425 HW1 SOL 5951 29.730 68.720 22.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19430 ATOM 19426 HW2 SOL 5951 29.190 68.940 21.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19431 ATOM 19427 OW SOL 5952 27.600 65.360 27.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19432 ATOM 19428 HW1 SOL 5952 28.220 65.010 28.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19433 ATOM 19429 HW2 SOL 5952 26.880 65.900 28.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19434 ATOM 19430 OW SOL 5953 27.720 65.370 20.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19435 ATOM 19431 HW1 SOL 5953 27.010 65.850 19.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19436 ATOM 19432 HW2 SOL 5953 27.960 64.520 19.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19437 ATOM 19433 OW SOL 5954 37.720 72.050 26.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19438 ATOM 19434 HW1 SOL 5954 37.440 71.410 26.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19439 ATOM 19435 HW2 SOL 5954 38.700 72.210 26.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19440 ATOM 19436 OW SOL 5955 20.810 69.550 37.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19441 ATOM 19437 HW1 SOL 5955 20.810 68.550 37.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19442 ATOM 19438 HW2 SOL 5955 21.010 69.760 38.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19443 ATOM 19439 OW SOL 5956 18.400 67.730 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19444 ATOM 19440 HW1 SOL 5956 18.790 66.860 25.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19445 ATOM 19441 HW2 SOL 5956 19.120 68.420 24.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19446 ATOM 19442 OW SOL 5957 26.220 72.440 34.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19447 ATOM 19443 HW1 SOL 5957 26.620 71.610 34.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19448 ATOM 19444 HW2 SOL 5957 26.240 73.180 35.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19449 ATOM 19445 OW SOL 5958 35.400 59.180 29.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19450 ATOM 19446 HW1 SOL 5958 35.910 58.320 29.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19451 ATOM 19447 HW2 SOL 5958 34.750 59.240 30.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19452 ATOM 19448 OW SOL 5959 21.180 59.100 25.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19453 ATOM 19449 HW1 SOL 5959 21.920 59.730 25.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19454 ATOM 19450 HW2 SOL 5959 20.340 59.620 25.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19455 ATOM 19451 OW SOL 5960 34.120 71.780 29.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19456 ATOM 19452 HW1 SOL 5960 33.640 72.030 28.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19457 ATOM 19453 HW2 SOL 5960 33.470 71.410 30.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19458 ATOM 19454 OW SOL 5961 21.800 61.510 31.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19459 ATOM 19455 HW1 SOL 5961 21.810 60.810 31.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19460 ATOM 19456 HW2 SOL 5961 21.260 61.200 30.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19461 ATOM 19457 OW SOL 5962 26.880 0.020 24.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19462 ATOM 19458 HW1 SOL 5962 27.700 -0.330 24.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19463 ATOM 19459 HW2 SOL 5962 26.140 -0.650 24.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19464 ATOM 19460 OW SOL 5963 33.340 58.760 31.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19465 ATOM 19461 HW1 SOL 5963 33.440 58.100 32.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19466 ATOM 19462 HW2 SOL 5963 32.740 59.500 31.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19467 ATOM 19463 OW SOL 5964 27.390 59.550 26.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19468 ATOM 19464 HW1 SOL 5964 26.430 59.370 26.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19469 ATOM 19465 HW2 SOL 5964 27.470 59.650 25.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19470 ATOM 19466 OW SOL 5965 30.210 66.930 23.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19471 ATOM 19467 HW1 SOL 5965 29.540 66.300 22.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19472 ATOM 19468 HW2 SOL 5965 29.990 67.110 24.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19473 ATOM 19469 OW SOL 5966 24.640 72.460 30.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19474 ATOM 19470 HW1 SOL 5966 24.770 73.270 29.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19475 ATOM 19471 HW2 SOL 5966 23.830 71.960 29.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19476 ATOM 19472 OW SOL 5967 30.890 55.330 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19477 ATOM 19473 HW1 SOL 5967 31.570 54.860 20.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19478 ATOM 19474 HW2 SOL 5967 29.970 55.100 20.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19479 ATOM 19475 OW SOL 5968 31.010 61.210 25.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19480 ATOM 19476 HW1 SOL 5968 30.200 61.790 25.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19481 ATOM 19477 HW2 SOL 5968 31.300 60.890 25.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19482 ATOM 19478 OW SOL 5969 33.870 57.540 27.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19483 ATOM 19479 HW1 SOL 5969 32.910 57.300 27.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19484 ATOM 19480 HW2 SOL 5969 33.950 58.020 28.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19485 ATOM 19481 OW SOL 5970 20.260 66.400 22.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19486 ATOM 19482 HW1 SOL 5970 20.820 65.660 21.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19487 ATOM 19483 HW2 SOL 5970 19.300 66.240 21.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19488 ATOM 19484 OW SOL 5971 21.130 62.220 38.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19489 ATOM 19485 HW1 SOL 5971 20.140 62.280 38.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19490 ATOM 19486 HW2 SOL 5971 21.430 62.860 37.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19491 ATOM 19487 OW SOL 5972 18.570 59.250 47.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19492 ATOM 19488 HW1 SOL 5972 19.040 59.040 48.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19493 ATOM 19489 HW2 SOL 5972 17.790 58.640 47.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19494 ATOM 19490 OW SOL 5973 18.610 58.950 43.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19495 ATOM 19491 HW1 SOL 5973 17.690 58.570 43.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19496 ATOM 19492 HW2 SOL 5973 18.650 59.740 42.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19497 ATOM 19493 OW SOL 5974 24.080 66.820 47.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19498 ATOM 19494 HW1 SOL 5974 23.810 66.450 48.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19499 ATOM 19495 HW2 SOL 5974 23.600 66.320 46.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19500 ATOM 19496 OW SOL 5975 35.240 69.370 45.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19501 ATOM 19497 HW1 SOL 5975 34.420 68.980 45.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19502 ATOM 19498 HW2 SOL 5975 35.040 69.660 44.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19503 ATOM 19499 OW SOL 5976 30.820 63.050 41.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19504 ATOM 19500 HW1 SOL 5976 31.540 63.670 42.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19505 ATOM 19501 HW2 SOL 5976 29.940 63.340 42.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19506 ATOM 19502 OW SOL 5977 36.170 60.480 39.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19507 ATOM 19503 HW1 SOL 5977 35.900 60.880 38.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19508 ATOM 19504 HW2 SOL 5977 35.450 59.860 39.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19509 ATOM 19505 OW SOL 5978 26.810 67.120 47.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19510 ATOM 19506 HW1 SOL 5978 25.870 66.800 47.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19511 ATOM 19507 HW2 SOL 5978 26.820 68.120 47.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19512 ATOM 19508 OW SOL 5979 25.950 63.150 54.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19513 ATOM 19509 HW1 SOL 5979 26.260 62.760 55.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19514 ATOM 19510 HW2 SOL 5979 25.770 64.130 54.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19515 ATOM 19511 OW SOL 5980 26.480 65.950 43.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19516 ATOM 19512 HW1 SOL 5980 27.400 66.080 43.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19517 ATOM 19513 HW2 SOL 5980 25.910 66.730 43.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19518 ATOM 19514 OW SOL 5981 25.500 68.560 54.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19519 ATOM 19515 HW1 SOL 5981 25.690 68.540 55.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19520 ATOM 19516 HW2 SOL 5981 25.190 69.480 54.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19521 ATOM 19517 OW SOL 5982 22.980 69.110 47.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19522 ATOM 19518 HW1 SOL 5982 23.490 68.260 47.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19523 ATOM 19519 HW2 SOL 5982 22.290 68.990 46.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19524 ATOM 19520 OW SOL 5983 31.080 70.070 51.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19525 ATOM 19521 HW1 SOL 5983 32.020 70.380 51.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19526 ATOM 19522 HW2 SOL 5983 30.470 70.780 51.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19527 ATOM 19523 OW SOL 5984 22.740 60.490 52.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19528 ATOM 19524 HW1 SOL 5984 23.480 59.910 52.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19529 ATOM 19525 HW2 SOL 5984 21.960 60.430 53.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19530 ATOM 19526 OW SOL 5985 35.460 58.140 44.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19531 ATOM 19527 HW1 SOL 5985 35.120 58.790 44.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19532 ATOM 19528 HW2 SOL 5985 35.320 58.510 45.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19533 ATOM 19529 OW SOL 5986 28.150 69.090 53.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19534 ATOM 19530 HW1 SOL 5986 27.200 68.890 54.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19535 ATOM 19531 HW2 SOL 5986 28.560 68.340 53.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19536 ATOM 19532 OW SOL 5987 20.780 0.740 41.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19537 ATOM 19533 HW1 SOL 5987 21.340 1.190 42.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19538 ATOM 19534 HW2 SOL 5987 19.950 0.370 42.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19539 ATOM 19535 OW SOL 5988 22.470 66.090 45.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19540 ATOM 19536 HW1 SOL 5988 22.770 65.140 45.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19541 ATOM 19537 HW2 SOL 5988 21.530 66.140 45.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19542 ATOM 19538 OW SOL 5989 24.710 67.210 39.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19543 ATOM 19539 HW1 SOL 5989 24.680 66.820 38.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19544 ATOM 19540 HW2 SOL 5989 25.490 66.830 39.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19545 ATOM 19541 OW SOL 5990 32.990 59.780 49.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19546 ATOM 19542 HW1 SOL 5990 32.060 60.110 48.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19547 ATOM 19543 HW2 SOL 5990 33.200 59.810 49.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19548 ATOM 19544 OW SOL 5991 17.300 63.350 43.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19549 ATOM 19545 HW1 SOL 5991 16.920 62.430 43.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19550 ATOM 19546 HW2 SOL 5991 18.250 63.310 43.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19551 ATOM 19547 OW SOL 5992 13.570 72.180 36.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19552 ATOM 19548 HW1 SOL 5992 14.160 71.770 37.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19553 ATOM 19549 HW2 SOL 5992 12.940 72.820 37.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19554 ATOM 19550 OW SOL 5993 35.670 62.410 45.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19555 ATOM 19551 HW1 SOL 5993 35.850 61.970 46.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19556 ATOM 19552 HW2 SOL 5993 36.540 62.730 44.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19557 ATOM 19553 OW SOL 5994 37.540 65.490 42.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19558 ATOM 19554 HW1 SOL 5994 37.610 64.610 43.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19559 ATOM 19555 HW2 SOL 5994 37.850 66.220 43.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19560 ATOM 19556 OW SOL 5995 19.710 64.740 51.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19561 ATOM 19557 HW1 SOL 5995 20.400 64.540 52.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19562 ATOM 19558 HW2 SOL 5995 18.800 64.560 52.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19563 ATOM 19559 OW SOL 5996 26.630 70.230 43.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19564 ATOM 19560 HW1 SOL 5996 25.790 69.690 43.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19565 ATOM 19561 HW2 SOL 5996 26.890 70.580 43.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19566 ATOM 19562 OW SOL 5997 29.080 66.870 52.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19567 ATOM 19563 HW1 SOL 5997 28.940 65.880 52.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19568 ATOM 19564 HW2 SOL 5997 30.060 67.060 52.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19569 ATOM 19565 OW SOL 5998 25.850 57.430 40.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19570 ATOM 19566 HW1 SOL 5998 26.470 58.200 40.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19571 ATOM 19567 HW2 SOL 5998 25.280 57.660 41.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19572 ATOM 19568 OW SOL 5999 23.340 65.890 50.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19573 ATOM 19569 HW1 SOL 5999 23.490 65.090 50.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19574 ATOM 19570 HW2 SOL 5999 22.680 66.500 50.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19575 ATOM 19571 OW SOL 6000 34.890 64.290 39.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19576 ATOM 19572 HW1 SOL 6000 33.960 64.290 39.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19577 ATOM 19573 HW2 SOL 6000 34.860 64.630 40.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19578 ATOM 19574 OW SOL 6001 20.690 59.940 54.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19579 ATOM 19575 HW1 SOL 6001 21.340 60.580 54.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19580 ATOM 19576 HW2 SOL 6001 19.950 59.750 55.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19581 ATOM 19577 OW SOL 6002 32.930 68.290 45.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19582 ATOM 19578 HW1 SOL 6002 31.980 68.620 45.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19583 ATOM 19579 HW2 SOL 6002 32.930 67.290 45.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19584 ATOM 19580 OW SOL 6003 24.860 63.440 40.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19585 ATOM 19581 HW1 SOL 6003 25.430 64.170 40.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19586 ATOM 19582 HW2 SOL 6003 24.560 63.670 41.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19587 ATOM 19583 OW SOL 6004 30.310 59.250 44.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19588 ATOM 19584 HW1 SOL 6004 29.400 58.880 44.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19589 ATOM 19585 HW2 SOL 6004 30.970 58.500 44.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19590 ATOM 19586 OW SOL 6005 36.180 69.080 39.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19591 ATOM 19587 HW1 SOL 6005 36.950 68.430 39.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19592 ATOM 19588 HW2 SOL 6005 35.450 68.690 39.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19593 ATOM 19589 OW SOL 6006 28.320 61.310 49.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19594 ATOM 19590 HW1 SOL 6006 27.950 61.660 50.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19595 ATOM 19591 HW2 SOL 6006 27.590 60.850 49.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19596 ATOM 19592 OW SOL 6007 33.850 59.850 51.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19597 ATOM 19593 HW1 SOL 6007 34.840 59.960 51.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19598 ATOM 19594 HW2 SOL 6007 33.690 59.150 52.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19599 ATOM 19595 OW SOL 6008 26.810 64.800 51.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19600 ATOM 19596 HW1 SOL 6008 27.460 64.120 51.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19601 ATOM 19597 HW2 SOL 6008 27.240 65.360 50.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19602 ATOM 19598 OW SOL 6009 27.880 58.150 47.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19603 ATOM 19599 HW1 SOL 6009 27.290 58.950 47.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19604 ATOM 19600 HW2 SOL 6009 27.720 57.480 47.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19605 ATOM 19601 OW SOL 6010 30.920 62.130 39.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19606 ATOM 19602 HW1 SOL 6010 30.970 62.320 40.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19607 ATOM 19603 HW2 SOL 6010 30.320 61.340 39.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19608 ATOM 19604 OW SOL 6011 19.920 63.260 44.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19609 ATOM 19605 HW1 SOL 6011 20.480 62.490 44.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19610 ATOM 19606 HW2 SOL 6011 20.510 64.030 44.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19611 ATOM 19607 OW SOL 6012 20.570 71.540 56.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19612 ATOM 19608 HW1 SOL 6012 20.250 71.870 55.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19613 ATOM 19609 HW2 SOL 6012 21.380 70.970 56.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19614 ATOM 19610 OW SOL 6013 34.670 60.530 54.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19615 ATOM 19611 HW1 SOL 6013 34.480 61.480 54.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19616 ATOM 19612 HW2 SOL 6013 35.260 60.110 53.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19617 ATOM 19613 OW SOL 6014 34.940 65.800 42.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19618 ATOM 19614 HW1 SOL 6014 35.720 65.900 42.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19619 ATOM 19615 HW2 SOL 6014 34.530 66.690 41.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19620 ATOM 19616 OW SOL 6015 22.410 58.470 46.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19621 ATOM 19617 HW1 SOL 6015 22.640 58.620 47.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19622 ATOM 19618 HW2 SOL 6015 21.470 58.140 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19623 ATOM 19619 OW SOL 6016 30.660 70.520 41.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19624 ATOM 19620 HW1 SOL 6016 31.180 71.350 40.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19625 ATOM 19621 HW2 SOL 6016 30.850 70.240 42.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19626 ATOM 19622 OW SOL 6017 25.770 1.050 46.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19627 ATOM 19623 HW1 SOL 6017 25.450 0.110 46.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19628 ATOM 19624 HW2 SOL 6017 25.570 1.590 47.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19629 ATOM 19625 OW SOL 6018 37.700 66.170 46.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19630 ATOM 19626 HW1 SOL 6018 37.740 66.750 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19631 ATOM 19627 HW2 SOL 6018 36.740 66.010 46.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19632 ATOM 19628 OW SOL 6019 30.830 0.550 54.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19633 ATOM 19629 HW1 SOL 6019 30.520 0.950 53.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19634 ATOM 19630 HW2 SOL 6019 30.060 0.110 54.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19635 ATOM 19631 OW SOL 6020 22.050 66.830 41.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19636 ATOM 19632 HW1 SOL 6020 22.590 66.640 40.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19637 ATOM 19633 HW2 SOL 6020 22.020 66.020 41.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19638 ATOM 19634 OW SOL 6021 33.070 62.440 44.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19639 ATOM 19635 HW1 SOL 6021 32.530 62.030 45.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19640 ATOM 19636 HW2 SOL 6021 34.040 62.430 44.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19641 ATOM 19637 OW SOL 6022 22.300 69.610 55.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19642 ATOM 19638 HW1 SOL 6022 21.990 69.770 54.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19643 ATOM 19639 HW2 SOL 6022 22.540 68.650 55.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19644 ATOM 19640 OW SOL 6023 18.910 58.770 52.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19645 ATOM 19641 HW1 SOL 6023 18.950 57.800 52.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19646 ATOM 19642 HW2 SOL 6023 19.510 59.300 53.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19647 ATOM 19643 OW SOL 6024 36.050 68.540 36.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19648 ATOM 19644 HW1 SOL 6024 36.090 68.630 35.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19649 ATOM 19645 HW2 SOL 6024 35.210 68.070 36.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19650 ATOM 19646 OW SOL 6025 21.450 64.650 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19651 ATOM 19647 HW1 SOL 6025 22.010 63.960 42.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19652 ATOM 19648 HW2 SOL 6025 20.820 64.190 41.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19653 ATOM 19649 OW SOL 6026 32.590 58.040 53.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19654 ATOM 19650 HW1 SOL 6026 32.500 57.750 54.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19655 ATOM 19651 HW2 SOL 6026 32.000 57.470 52.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19656 ATOM 19652 OW SOL 6027 24.750 59.210 53.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19657 ATOM 19653 HW1 SOL 6027 25.530 58.710 53.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19658 ATOM 19654 HW2 SOL 6027 24.780 59.180 54.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19659 ATOM 19655 OW SOL 6028 27.290 71.810 49.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19660 ATOM 19656 HW1 SOL 6028 26.330 71.760 48.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19661 ATOM 19657 HW2 SOL 6028 27.800 71.110 48.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19662 ATOM 19658 OW SOL 6029 31.860 61.990 50.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19663 ATOM 19659 HW1 SOL 6029 32.630 61.430 50.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19664 ATOM 19660 HW2 SOL 6029 32.120 62.960 50.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19665 ATOM 19661 OW SOL 6030 27.220 69.810 47.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19666 ATOM 19662 HW1 SOL 6030 28.120 69.780 46.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19667 ATOM 19663 HW2 SOL 6030 26.560 70.210 46.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19668 ATOM 19664 OW SOL 6031 28.090 61.790 43.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19669 ATOM 19665 HW1 SOL 6031 27.570 61.870 42.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19670 ATOM 19666 HW2 SOL 6031 28.280 60.830 43.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19671 ATOM 19667 OW SOL 6032 23.490 58.820 42.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19672 ATOM 19668 HW1 SOL 6032 23.850 59.070 43.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19673 ATOM 19669 HW2 SOL 6032 23.040 59.610 41.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19674 ATOM 19670 OW SOL 6033 34.460 66.250 36.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19675 ATOM 19671 HW1 SOL 6033 35.160 65.530 36.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19676 ATOM 19672 HW2 SOL 6033 34.480 66.710 37.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19677 ATOM 19673 OW SOL 6034 22.400 56.080 38.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19678 ATOM 19674 HW1 SOL 6034 21.590 55.570 38.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19679 ATOM 19675 HW2 SOL 6034 22.160 57.040 38.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19680 ATOM 19676 OW SOL 6035 26.960 59.470 39.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19681 ATOM 19677 HW1 SOL 6035 26.470 60.150 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19682 ATOM 19678 HW2 SOL 6035 27.940 59.550 39.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19683 ATOM 19679 OW SOL 6036 29.440 64.100 53.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19684 ATOM 19680 HW1 SOL 6036 29.220 63.120 53.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19685 ATOM 19681 HW2 SOL 6036 30.410 64.230 53.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19686 ATOM 19682 OW SOL 6037 31.110 70.550 43.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19687 ATOM 19683 HW1 SOL 6037 30.270 71.090 43.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19688 ATOM 19684 HW2 SOL 6037 31.900 71.160 43.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19689 ATOM 19685 OW SOL 6038 24.790 68.000 44.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19690 ATOM 19686 HW1 SOL 6038 24.580 67.470 44.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19691 ATOM 19687 HW2 SOL 6038 23.970 68.070 43.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19692 ATOM 19688 OW SOL 6039 28.490 60.970 36.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19693 ATOM 19689 HW1 SOL 6039 28.270 61.890 37.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19694 ATOM 19690 HW2 SOL 6039 28.800 60.420 37.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19695 ATOM 19691 OW SOL 6040 19.250 63.150 49.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19696 ATOM 19692 HW1 SOL 6040 19.900 62.400 49.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19697 ATOM 19693 HW2 SOL 6040 19.380 63.830 50.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19698 ATOM 19694 OW SOL 6041 22.870 59.040 48.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19699 ATOM 19695 HW1 SOL 6041 23.320 59.720 49.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19700 ATOM 19696 HW2 SOL 6041 22.160 58.570 49.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19701 ATOM 19697 OW SOL 6042 26.860 61.640 41.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19702 ATOM 19698 HW1 SOL 6042 26.150 62.080 40.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19703 ATOM 19699 HW2 SOL 6042 27.030 60.720 41.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19704 ATOM 19700 OW SOL 6043 28.800 56.670 43.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19705 ATOM 19701 HW1 SOL 6043 28.590 55.850 43.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19706 ATOM 19702 HW2 SOL 6043 29.770 56.650 42.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19707 ATOM 19703 OW SOL 6044 32.570 65.570 46.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19708 ATOM 19704 HW1 SOL 6044 32.320 64.720 46.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19709 ATOM 19705 HW2 SOL 6044 32.350 65.500 45.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19710 ATOM 19706 OW SOL 6045 31.690 60.930 46.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19711 ATOM 19707 HW1 SOL 6045 31.310 60.400 45.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19712 ATOM 19708 HW2 SOL 6045 31.340 60.580 47.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19713 ATOM 19709 OW SOL 6046 37.300 59.980 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19714 ATOM 19710 HW1 SOL 6046 37.310 58.990 42.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19715 ATOM 19711 HW2 SOL 6046 37.510 60.190 41.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19716 ATOM 19712 OW SOL 6047 24.360 69.850 39.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19717 ATOM 19713 HW1 SOL 6047 23.470 70.160 40.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19718 ATOM 19714 HW2 SOL 6047 24.360 68.850 39.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19719 ATOM 19715 OW SOL 6048 38.020 67.930 44.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19720 ATOM 19716 HW1 SOL 6048 38.900 68.280 44.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19721 ATOM 19717 HW2 SOL 6048 37.470 68.700 44.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19722 ATOM 19718 OW SOL 6049 33.030 60.500 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19723 ATOM 19719 HW1 SOL 6049 32.530 61.200 36.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19724 ATOM 19720 HW2 SOL 6049 34.000 60.720 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19725 ATOM 19721 OW SOL 6050 23.140 59.000 39.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19726 ATOM 19722 HW1 SOL 6050 23.190 59.840 39.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19727 ATOM 19723 HW2 SOL 6050 23.850 58.360 39.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19728 ATOM 19724 OW SOL 6051 33.910 67.530 51.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19729 ATOM 19725 HW1 SOL 6051 33.010 67.590 51.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19730 ATOM 19726 HW2 SOL 6051 34.040 68.330 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19731 ATOM 19727 OW SOL 6052 28.280 68.640 50.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19732 ATOM 19728 HW1 SOL 6052 27.440 68.130 50.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19733 ATOM 19729 HW2 SOL 6052 28.870 68.590 51.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19734 ATOM 19730 OW SOL 6053 34.340 69.590 53.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19735 ATOM 19731 HW1 SOL 6053 33.860 70.440 53.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19736 ATOM 19732 HW2 SOL 6053 35.210 69.550 53.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19737 ATOM 19733 OW SOL 6054 30.420 69.220 48.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19738 ATOM 19734 HW1 SOL 6054 29.610 69.040 49.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19739 ATOM 19735 HW2 SOL 6054 30.250 68.910 47.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19740 ATOM 19736 OW SOL 6055 35.080 65.490 47.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19741 ATOM 19737 HW1 SOL 6055 35.170 66.160 48.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19742 ATOM 19738 HW2 SOL 6055 34.160 65.530 47.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19743 ATOM 19739 OW SOL 6056 26.150 57.750 50.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19744 ATOM 19740 HW1 SOL 6056 25.650 57.400 49.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19745 ATOM 19741 HW2 SOL 6056 27.110 57.900 50.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19746 ATOM 19742 OW SOL 6057 26.290 65.960 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19747 ATOM 19743 HW1 SOL 6057 25.980 66.900 54.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19748 ATOM 19744 HW2 SOL 6057 26.820 65.900 53.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19749 ATOM 19745 OW SOL 6058 26.730 65.330 40.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19750 ATOM 19746 HW1 SOL 6058 26.660 65.220 41.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19751 ATOM 19747 HW2 SOL 6058 27.350 66.080 40.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19752 ATOM 19748 OW SOL 6059 23.710 62.530 49.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19753 ATOM 19749 HW1 SOL 6059 24.090 62.440 50.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19754 ATOM 19750 HW2 SOL 6059 22.730 62.360 49.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19755 ATOM 19751 OW SOL 6060 30.350 59.980 48.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19756 ATOM 19752 HW1 SOL 6060 29.690 60.350 48.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19757 ATOM 19753 HW2 SOL 6060 30.030 59.090 47.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19758 ATOM 19754 OW SOL 6061 19.940 69.550 49.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19759 ATOM 19755 HW1 SOL 6061 19.760 70.130 48.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19760 ATOM 19756 HW2 SOL 6061 20.860 69.740 49.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19761 ATOM 19757 OW SOL 6062 22.670 68.750 42.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19762 ATOM 19758 HW1 SOL 6062 22.590 69.620 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19763 ATOM 19759 HW2 SOL 6062 22.170 68.050 42.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19764 ATOM 19760 OW SOL 6063 24.670 59.370 44.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19765 ATOM 19761 HW1 SOL 6063 25.180 60.110 45.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19766 ATOM 19762 HW2 SOL 6063 24.100 58.910 45.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19767 ATOM 19763 OW SOL 6064 33.080 68.030 41.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19768 ATOM 19764 HW1 SOL 6064 33.530 68.860 41.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19769 ATOM 19765 HW2 SOL 6064 32.090 68.200 41.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19770 ATOM 19766 OW SOL 6065 31.400 71.830 48.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19771 ATOM 19767 HW1 SOL 6065 30.950 72.240 49.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19772 ATOM 19768 HW2 SOL 6065 30.980 70.940 48.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19773 ATOM 19769 OW SOL 6066 34.560 60.340 43.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19774 ATOM 19770 HW1 SOL 6066 34.130 60.980 43.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19775 ATOM 19771 HW2 SOL 6066 35.510 60.610 42.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19776 ATOM 19772 OW SOL 6067 22.630 70.030 49.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19777 ATOM 19773 HW1 SOL 6067 22.710 69.750 48.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19778 ATOM 19774 HW2 SOL 6067 23.450 70.540 50.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19779 ATOM 19775 OW SOL 6068 22.950 64.040 54.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19780 ATOM 19776 HW1 SOL 6068 22.520 63.360 53.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19781 ATOM 19777 HW2 SOL 6068 23.350 63.590 54.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19782 ATOM 19778 OW SOL 6069 34.070 63.210 54.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19783 ATOM 19779 HW1 SOL 6069 33.240 63.700 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19784 ATOM 19780 HW2 SOL 6069 34.870 63.640 53.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19785 ATOM 19781 OW SOL 6070 27.520 59.280 53.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19786 ATOM 19782 HW1 SOL 6070 27.550 59.190 54.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19787 ATOM 19783 HW2 SOL 6070 28.420 59.050 52.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19788 ATOM 19784 OW SOL 6071 23.220 56.660 53.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19789 ATOM 19785 HW1 SOL 6071 22.390 56.180 53.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19790 ATOM 19786 HW2 SOL 6071 23.390 57.430 54.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19791 ATOM 19787 OW SOL 6072 25.450 63.650 47.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19792 ATOM 19788 HW1 SOL 6072 25.820 64.560 47.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19793 ATOM 19789 HW2 SOL 6072 24.870 63.360 48.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19794 ATOM 19790 OW SOL 6073 31.870 63.350 47.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19795 ATOM 19791 HW1 SOL 6073 30.890 63.390 47.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19796 ATOM 19792 HW2 SOL 6073 32.100 62.470 47.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19797 ATOM 19793 OW SOL 6074 29.590 59.510 39.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19798 ATOM 19794 HW1 SOL 6074 29.800 58.540 39.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19799 ATOM 19795 HW2 SOL 6074 30.040 60.020 40.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19800 ATOM 19796 OW SOL 6075 20.110 59.050 50.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19801 ATOM 19797 HW1 SOL 6075 19.740 59.130 51.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19802 ATOM 19798 HW2 SOL 6075 20.170 58.080 50.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19803 ATOM 19799 OW SOL 6076 19.820 66.900 48.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19804 ATOM 19800 HW1 SOL 6076 19.660 66.350 49.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19805 ATOM 19801 HW2 SOL 6076 19.840 67.870 49.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19806 ATOM 19802 OW SOL 6077 26.120 61.830 45.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19807 ATOM 19803 HW1 SOL 6077 26.850 62.000 44.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19808 ATOM 19804 HW2 SOL 6077 26.060 62.600 46.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19809 ATOM 19805 OW SOL 6078 36.200 64.560 56.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19810 ATOM 19806 HW1 SOL 6078 37.010 64.590 55.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19811 ATOM 19807 HW2 SOL 6078 36.050 65.450 56.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19812 ATOM 19808 OW SOL 6079 17.780 55.690 43.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19813 ATOM 19809 HW1 SOL 6079 17.200 56.510 43.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19814 ATOM 19810 HW2 SOL 6079 17.710 55.240 43.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19815 ATOM 19811 OW SOL 6080 34.430 58.800 40.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19816 ATOM 19812 HW1 SOL 6080 34.670 57.910 41.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19817 ATOM 19813 HW2 SOL 6080 34.430 59.500 41.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19818 ATOM 19814 OW SOL 6081 29.090 63.710 45.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19819 ATOM 19815 HW1 SOL 6081 29.080 63.300 46.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19820 ATOM 19816 HW2 SOL 6081 28.840 63.020 44.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19821 ATOM 19817 OW SOL 6082 25.580 71.260 54.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19822 ATOM 19818 HW1 SOL 6082 24.740 71.660 54.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19823 ATOM 19819 HW2 SOL 6082 26.370 71.800 54.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19824 ATOM 19820 OW SOL 6083 38.380 69.200 52.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19825 ATOM 19821 HW1 SOL 6083 39.080 69.900 52.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19826 ATOM 19822 HW2 SOL 6083 38.560 68.730 53.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19827 ATOM 19823 OW SOL 6084 23.050 66.670 54.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19828 ATOM 19824 HW1 SOL 6084 23.850 66.970 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19829 ATOM 19825 HW2 SOL 6084 22.990 65.670 54.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19830 ATOM 19826 OW SOL 6085 32.500 58.520 38.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19831 ATOM 19827 HW1 SOL 6085 32.280 59.280 38.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19832 ATOM 19828 HW2 SOL 6085 33.230 58.790 39.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19833 ATOM 19829 OW SOL 6086 31.780 62.380 35.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19834 ATOM 19830 HW1 SOL 6086 30.970 62.040 34.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19835 ATOM 19831 HW2 SOL 6086 32.350 62.880 34.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19836 ATOM 19832 OW SOL 6087 29.940 68.670 45.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19837 ATOM 19833 HW1 SOL 6087 29.360 67.930 45.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19838 ATOM 19834 HW2 SOL 6087 30.360 69.160 45.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19839 ATOM 19835 OW SOL 6088 23.180 63.550 45.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19840 ATOM 19836 HW1 SOL 6088 24.060 63.410 46.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19841 ATOM 19837 HW2 SOL 6088 22.550 62.810 45.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19842 ATOM 19838 OW SOL 6089 21.630 61.190 45.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19843 ATOM 19839 HW1 SOL 6089 21.810 60.330 46.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19844 ATOM 19840 HW2 SOL 6089 21.970 61.140 44.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19845 ATOM 19841 OW SOL 6090 30.480 59.840 52.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19846 ATOM 19842 HW1 SOL 6090 30.810 60.650 51.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19847 ATOM 19843 HW2 SOL 6090 31.240 59.410 52.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19848 ATOM 19844 OW SOL 6091 28.680 58.180 50.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19849 ATOM 19845 HW1 SOL 6091 29.360 58.860 50.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19850 ATOM 19846 HW2 SOL 6091 28.640 58.090 49.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19851 ATOM 19847 OW SOL 6092 19.350 69.700 40.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19852 ATOM 19848 HW1 SOL 6092 18.810 70.550 39.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19853 ATOM 19849 HW2 SOL 6092 18.840 69.010 40.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19854 ATOM 19850 OW SOL 6093 24.710 71.450 47.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19855 ATOM 19851 HW1 SOL 6093 24.110 72.100 48.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19856 ATOM 19852 HW2 SOL 6093 24.190 70.620 47.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19857 ATOM 19853 OW SOL 6094 29.150 63.320 48.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19858 ATOM 19854 HW1 SOL 6094 28.840 64.140 48.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19859 ATOM 19855 HW2 SOL 6094 29.160 62.550 48.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19860 ATOM 19856 OW SOL 6095 17.980 63.870 47.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19861 ATOM 19857 HW1 SOL 6095 18.650 63.980 46.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19862 ATOM 19858 HW2 SOL 6095 18.460 63.620 48.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19863 ATOM 19859 OW SOL 6096 19.840 63.370 55.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19864 ATOM 19860 HW1 SOL 6096 19.210 62.680 55.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19865 ATOM 19861 HW2 SOL 6096 19.590 64.270 55.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19866 ATOM 19862 OW SOL 6097 32.060 65.240 53.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19867 ATOM 19863 HW1 SOL 6097 31.800 66.190 53.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19868 ATOM 19864 HW2 SOL 6097 32.450 65.190 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19869 ATOM 19865 OW SOL 6098 25.700 61.520 38.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19870 ATOM 19866 HW1 SOL 6098 26.180 62.120 38.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19871 ATOM 19867 HW2 SOL 6098 24.890 61.990 38.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19872 ATOM 19868 OW SOL 6099 35.030 59.150 47.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19873 ATOM 19869 HW1 SOL 6099 34.290 59.690 47.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19874 ATOM 19870 HW2 SOL 6099 35.800 59.740 46.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19875 ATOM 19871 OW SOL 6100 18.980 68.580 52.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19876 ATOM 19872 HW1 SOL 6100 19.830 68.210 51.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19877 ATOM 19873 HW2 SOL 6100 19.140 68.980 53.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19878 ATOM 19874 OW SOL 6101 26.110 60.190 48.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19879 ATOM 19875 HW1 SOL 6101 25.360 60.370 48.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19880 ATOM 19876 HW2 SOL 6101 26.100 60.870 47.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19881 ATOM 19877 OW SOL 6102 23.030 61.420 40.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19882 ATOM 19878 HW1 SOL 6102 23.670 62.160 40.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19883 ATOM 19879 HW2 SOL 6102 22.280 61.790 39.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19884 ATOM 19880 OW SOL 6103 21.210 67.270 51.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19885 ATOM 19881 HW1 SOL 6103 20.790 66.390 51.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19886 ATOM 19882 HW2 SOL 6103 21.930 67.170 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19887 ATOM 19883 OW SOL 6104 32.440 66.890 48.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19888 ATOM 19884 HW1 SOL 6104 32.620 66.610 47.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19889 ATOM 19885 HW2 SOL 6104 31.980 67.770 48.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19890 ATOM 19886 OW SOL 6105 32.360 64.260 37.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19891 ATOM 19887 HW1 SOL 6105 31.730 63.770 38.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19892 ATOM 19888 HW2 SOL 6105 32.470 63.760 37.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19893 ATOM 19889 OW SOL 6106 35.740 70.950 50.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19894 ATOM 19890 HW1 SOL 6106 35.040 70.760 49.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19895 ATOM 19891 HW2 SOL 6106 35.320 71.400 51.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19896 ATOM 19892 OW SOL 6107 31.230 0.880 46.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19897 ATOM 19893 HW1 SOL 6107 31.860 0.650 45.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19898 ATOM 19894 HW2 SOL 6107 31.440 0.310 47.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19899 ATOM 19895 OW SOL 6108 19.860 66.520 46.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19900 ATOM 19896 HW1 SOL 6108 19.700 66.530 47.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19901 ATOM 19897 HW2 SOL 6108 18.980 66.510 45.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19902 ATOM 19898 OW SOL 6109 33.320 55.860 40.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19903 ATOM 19899 HW1 SOL 6109 34.050 55.820 40.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19904 ATOM 19900 HW2 SOL 6109 33.190 54.960 41.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19905 ATOM 19901 OW SOL 6110 35.210 70.250 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19906 ATOM 19902 HW1 SOL 6110 35.750 69.700 41.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19907 ATOM 19903 HW2 SOL 6110 34.660 70.910 41.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19908 ATOM 19904 OW SOL 6111 18.920 0.060 54.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19909 ATOM 19905 HW1 SOL 6111 18.560 0.990 54.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19910 ATOM 19906 HW2 SOL 6111 18.730 -0.480 53.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19911 ATOM 19907 OW SOL 6112 32.550 64.800 42.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19912 ATOM 19908 HW1 SOL 6112 32.720 63.870 43.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19913 ATOM 19909 HW2 SOL 6112 33.360 65.130 42.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19914 ATOM 19910 OW SOL 6113 25.690 67.680 50.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19915 ATOM 19911 HW1 SOL 6113 25.260 68.440 50.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19916 ATOM 19912 HW2 SOL 6113 25.040 66.940 50.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19917 ATOM 19913 OW SOL 6114 24.650 71.530 37.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19918 ATOM 19914 HW1 SOL 6114 25.630 71.620 37.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19919 ATOM 19915 HW2 SOL 6114 24.500 71.070 38.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19920 ATOM 19916 OW SOL 6115 37.530 56.450 47.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19921 ATOM 19917 HW1 SOL 6115 37.600 55.700 48.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19922 ATOM 19918 HW2 SOL 6115 37.160 56.090 46.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19923 ATOM 19919 OW SOL 6116 19.850 57.850 45.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19924 ATOM 19920 HW1 SOL 6116 19.430 57.930 44.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19925 ATOM 19921 HW2 SOL 6116 19.350 58.440 46.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19926 ATOM 19922 OW SOL 6117 30.380 68.980 35.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19927 ATOM 19923 HW1 SOL 6117 30.560 68.140 36.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19928 ATOM 19924 HW2 SOL 6117 29.740 68.780 34.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19929 ATOM 19925 OW SOL 6118 28.640 65.810 49.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19930 ATOM 19926 HW1 SOL 6118 28.240 66.640 48.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19931 ATOM 19927 HW2 SOL 6118 29.520 66.020 49.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19932 ATOM 19928 OW SOL 6119 27.800 67.570 39.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19933 ATOM 19929 HW1 SOL 6119 28.670 68.050 39.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19934 ATOM 19930 HW2 SOL 6119 27.070 68.170 39.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19935 ATOM 19931 OW SOL 6120 22.040 69.980 52.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19936 ATOM 19932 HW1 SOL 6120 22.860 69.420 52.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19937 ATOM 19933 HW2 SOL 6120 21.780 70.380 51.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19938 ATOM 19934 OW SOL 6121 35.660 67.170 49.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19939 ATOM 19935 HW1 SOL 6121 36.210 67.970 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19940 ATOM 19936 HW2 SOL 6121 35.010 67.000 50.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19941 ATOM 19937 OW SOL 6122 30.240 66.550 43.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19942 ATOM 19938 HW1 SOL 6122 29.760 66.000 43.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19943 ATOM 19939 HW2 SOL 6122 31.210 66.290 43.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19944 ATOM 19940 OW SOL 6123 27.380 58.940 43.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19945 ATOM 19941 HW1 SOL 6123 27.730 58.020 43.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19946 ATOM 19942 HW2 SOL 6123 26.430 58.880 44.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19947 ATOM 19943 OW SOL 6124 26.580 71.150 41.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19948 ATOM 19944 HW1 SOL 6124 25.680 70.790 40.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19949 ATOM 19945 HW2 SOL 6124 26.510 72.130 41.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19950 ATOM 19946 OW SOL 6125 36.650 60.360 51.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19951 ATOM 19947 HW1 SOL 6125 37.190 60.840 50.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19952 ATOM 19948 HW2 SOL 6125 36.590 59.390 51.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19953 ATOM 19949 OW SOL 6126 22.090 70.990 40.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19954 ATOM 19950 HW1 SOL 6126 21.130 70.740 40.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19955 ATOM 19951 HW2 SOL 6126 22.170 71.940 41.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19956 ATOM 19952 OW SOL 6127 19.510 65.960 54.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19957 ATOM 19953 HW1 SOL 6127 18.600 65.910 54.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19958 ATOM 19954 HW2 SOL 6127 19.510 66.640 53.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19959 ATOM 19955 OW SOL 6128 24.560 60.150 50.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19960 ATOM 19956 HW1 SOL 6128 25.220 59.510 50.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19961 ATOM 19957 HW2 SOL 6128 24.050 60.600 51.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19962 ATOM 19958 OW SOL 6129 17.320 61.380 36.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19963 ATOM 19959 HW1 SOL 6129 16.580 61.900 36.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19964 ATOM 19960 HW2 SOL 6129 17.710 60.750 36.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19965 ATOM 19961 OW SOL 6130 32.810 64.600 50.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19966 ATOM 19962 HW1 SOL 6130 32.540 65.320 49.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19967 ATOM 19963 HW2 SOL 6130 33.590 64.100 50.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19968 ATOM 19964 OW SOL 6131 19.570 58.520 37.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19969 ATOM 19965 HW1 SOL 6131 19.370 59.020 36.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19970 ATOM 19966 HW2 SOL 6131 20.500 58.740 37.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19971 ATOM 19967 OW SOL 6132 33.720 67.960 38.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19972 ATOM 19968 HW1 SOL 6132 32.790 67.720 38.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19973 ATOM 19969 HW2 SOL 6132 33.750 68.120 39.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19974 ATOM 19970 OW SOL 6133 24.510 63.250 51.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19975 ATOM 19971 HW1 SOL 6133 25.290 63.750 51.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19976 ATOM 19972 HW2 SOL 6133 24.770 62.870 52.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19977 ATOM 19973 OW SOL 6134 33.090 0.310 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19978 ATOM 19974 HW1 SOL 6134 33.440 1.100 44.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19979 ATOM 19975 HW2 SOL 6134 33.750 0.040 43.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19980 ATOM 19976 OW SOL 6135 28.020 61.910 52.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19981 ATOM 19977 HW1 SOL 6135 27.110 62.200 52.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19982 ATOM 19978 HW2 SOL 6135 28.110 60.930 52.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19983 ATOM 19979 OW SOL 6136 31.290 67.990 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19984 ATOM 19980 HW1 SOL 6136 31.450 68.310 54.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19985 ATOM 19981 HW2 SOL 6136 31.140 68.780 53.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19986 ATOM 19982 OW SOL 6137 35.850 63.780 50.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19987 ATOM 19983 HW1 SOL 6137 36.570 63.090 50.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19988 ATOM 19984 HW2 SOL 6137 35.920 64.230 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19989 ATOM 19985 OW SOL 6138 28.090 55.700 40.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19990 ATOM 19986 HW1 SOL 6138 29.060 55.950 40.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19991 ATOM 19987 HW2 SOL 6138 27.570 56.370 40.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19992 ATOM 19988 OW SOL 6139 24.460 63.930 43.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19993 ATOM 19989 HW1 SOL 6139 25.230 64.560 43.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19994 ATOM 19990 HW2 SOL 6139 23.930 63.880 44.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19995 ATOM 19991 OW SOL 6140 35.280 57.400 54.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19996 ATOM 19992 HW1 SOL 6140 35.230 56.620 53.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19997 ATOM 19993 HW2 SOL 6140 34.530 57.350 54.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19998 ATOM 19994 OW SOL 6141 35.280 65.320 52.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
19999 ATOM 19995 HW1 SOL 6141 34.910 66.240 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20000 ATOM 19996 HW2 SOL 6141 35.460 64.980 51.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20001 ATOM 19997 OW SOL 6142 27.150 70.240 37.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20002 ATOM 19998 HW1 SOL 6142 27.010 69.270 36.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20003 ATOM 19999 HW2 SOL 6142 27.740 70.370 37.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20004 ATOM 20000 OW SOL 6143 28.670 66.210 45.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20005 ATOM 20001 HW1 SOL 6143 28.960 65.250 45.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20006 ATOM 20002 HW2 SOL 6143 28.080 66.440 46.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20007 ATOM 20003 OW SOL 6144 31.430 66.840 38.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20008 ATOM 20004 HW1 SOL 6144 31.070 66.800 39.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20009 ATOM 20005 HW2 SOL 6144 31.760 65.930 37.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20010 ATOM 20006 OW SOL 6145 36.380 70.890 47.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20011 ATOM 20007 HW1 SOL 6145 35.930 70.730 46.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20012 ATOM 20008 HW2 SOL 6145 35.800 70.560 47.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20013 ATOM 20009 OW SOL 6146 25.910 67.610 57.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20014 ATOM 20010 HW1 SOL 6146 25.380 66.860 57.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20015 ATOM 20011 HW2 SOL 6146 26.210 68.230 58.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20016 ATOM 20012 OW SOL 6147 21.170 68.910 45.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20017 ATOM 20013 HW1 SOL 6147 20.420 68.250 45.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20018 ATOM 20014 HW2 SOL 6147 21.730 68.850 44.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20019 ATOM 20015 OW SOL 6148 23.290 72.240 54.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20020 ATOM 20016 HW1 SOL 6148 22.780 71.570 53.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20021 ATOM 20017 HW2 SOL 6148 22.680 73.000 54.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20022 ATOM 20018 OW SOL 6149 35.800 58.070 49.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20023 ATOM 20019 HW1 SOL 6149 34.980 58.480 49.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20024 ATOM 20020 HW2 SOL 6149 36.260 57.500 48.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20025 ATOM 20021 OW SOL 6150 23.320 61.340 43.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20026 ATOM 20022 HW1 SOL 6150 23.870 62.150 43.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20027 ATOM 20023 HW2 SOL 6150 23.890 60.690 44.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20028 ATOM 20024 OW SOL 6151 33.800 70.330 48.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20029 ATOM 20025 HW1 SOL 6151 33.020 70.940 48.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20030 ATOM 20026 HW2 SOL 6151 33.590 69.440 48.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20031 ATOM 20027 OW SOL 6152 21.460 61.400 50.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20032 ATOM 20028 HW1 SOL 6152 21.940 61.320 51.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20033 ATOM 20029 HW2 SOL 6152 20.930 60.570 50.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20034 ATOM 20030 OW SOL 6153 28.870 71.950 44.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20035 ATOM 20031 HW1 SOL 6153 28.680 72.920 44.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20036 ATOM 20032 HW2 SOL 6153 28.080 71.410 44.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20037 ATOM 20033 OW SOL 6154 32.300 57.550 45.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20038 ATOM 20034 HW1 SOL 6154 32.880 58.130 45.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20039 ATOM 20035 HW2 SOL 6154 32.350 56.610 45.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20040 ATOM 20036 OW SOL 6155 27.960 56.160 46.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20041 ATOM 20037 HW1 SOL 6155 28.100 55.560 45.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20042 ATOM 20038 HW2 SOL 6155 28.360 55.750 47.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20043 ATOM 20039 OW SOL 6156 30.270 67.750 40.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20044 ATOM 20040 HW1 SOL 6156 30.060 67.090 41.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20045 ATOM 20041 HW2 SOL 6156 30.020 68.670 40.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20046 ATOM 20042 OW SOL 6157 24.940 70.940 50.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20047 ATOM 20043 HW1 SOL 6157 24.890 71.930 51.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20048 ATOM 20044 HW2 SOL 6157 25.830 70.600 51.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20049 ATOM 20045 OW SOL 6158 30.440 60.470 41.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20050 ATOM 20046 HW1 SOL 6158 30.670 61.430 42.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20051 ATOM 20047 HW2 SOL 6158 30.110 60.030 42.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20052 ATOM 20048 OW SOL 6159 35.470 55.520 45.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20053 ATOM 20049 HW1 SOL 6159 35.130 54.950 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20054 ATOM 20050 HW2 SOL 6159 35.470 56.480 45.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20055 ATOM 20051 OW SOL 6160 19.090 66.630 40.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20056 ATOM 20052 HW1 SOL 6160 19.910 67.150 40.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20057 ATOM 20053 HW2 SOL 6160 19.340 65.720 40.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20058 ATOM 20054 OW SOL 6161 20.930 63.110 59.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20059 ATOM 20055 HW1 SOL 6161 20.870 62.240 59.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20060 ATOM 20056 HW2 SOL 6161 20.070 63.280 58.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20061 ATOM 20057 OW SOL 6162 19.720 57.590 64.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20062 ATOM 20058 HW1 SOL 6162 20.360 57.710 65.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20063 ATOM 20059 HW2 SOL 6162 19.510 56.620 64.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20064 ATOM 20060 OW SOL 6163 20.990 59.240 58.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20065 ATOM 20061 HW1 SOL 6163 20.480 59.520 57.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20066 ATOM 20062 HW2 SOL 6163 20.440 59.420 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20067 ATOM 20063 OW SOL 6164 26.980 69.350 69.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20068 ATOM 20064 HW1 SOL 6164 26.160 69.020 68.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20069 ATOM 20065 HW2 SOL 6164 26.730 70.080 69.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20070 ATOM 20066 OW SOL 6165 33.890 69.010 62.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20071 ATOM 20067 HW1 SOL 6165 33.350 68.780 62.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20072 ATOM 20068 HW2 SOL 6165 33.540 69.850 61.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20073 ATOM 20069 OW SOL 6166 30.200 61.820 61.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20074 ATOM 20070 HW1 SOL 6166 31.050 62.310 61.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20075 ATOM 20071 HW2 SOL 6166 29.520 62.110 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20076 ATOM 20072 OW SOL 6167 36.030 61.960 56.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20077 ATOM 20073 HW1 SOL 6167 35.890 62.940 56.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20078 ATOM 20074 HW2 SOL 6167 35.570 61.480 55.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20079 ATOM 20075 OW SOL 6168 29.040 69.170 67.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20080 ATOM 20076 HW1 SOL 6168 28.420 69.290 68.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20081 ATOM 20077 HW2 SOL 6168 28.510 69.240 66.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20082 ATOM 20078 OW SOL 6169 26.880 61.600 72.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20083 ATOM 20079 HW1 SOL 6169 27.070 62.530 72.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20084 ATOM 20080 HW2 SOL 6169 27.440 61.410 71.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20085 ATOM 20081 OW SOL 6170 25.970 66.980 61.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20086 ATOM 20082 HW1 SOL 6170 26.600 66.830 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20087 ATOM 20083 HW2 SOL 6170 25.040 66.770 61.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20088 ATOM 20084 OW SOL 6171 24.570 68.470 68.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20089 ATOM 20085 HW1 SOL 6171 24.020 67.670 67.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20090 ATOM 20086 HW2 SOL 6171 24.000 69.150 68.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20091 ATOM 20087 OW SOL 6172 33.040 69.060 70.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20092 ATOM 20088 HW1 SOL 6172 33.160 69.970 70.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20093 ATOM 20089 HW2 SOL 6172 32.790 68.410 71.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20094 ATOM 20090 OW SOL 6173 22.660 59.070 70.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20095 ATOM 20091 HW1 SOL 6173 23.100 59.070 71.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20096 ATOM 20092 HW2 SOL 6173 21.670 58.970 70.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20097 ATOM 20093 OW SOL 6174 34.250 61.200 61.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20098 ATOM 20094 HW1 SOL 6174 34.270 61.450 60.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20099 ATOM 20095 HW2 SOL 6174 33.940 61.980 61.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20100 ATOM 20096 OW SOL 6175 20.160 70.040 62.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20101 ATOM 20097 HW1 SOL 6175 19.290 69.550 62.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20102 ATOM 20098 HW2 SOL 6175 20.750 69.840 63.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20103 ATOM 20099 OW SOL 6176 23.120 65.110 64.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20104 ATOM 20100 HW1 SOL 6176 23.550 64.250 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20105 ATOM 20101 HW2 SOL 6176 22.130 64.970 64.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20106 ATOM 20102 OW SOL 6177 24.780 65.070 57.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20107 ATOM 20103 HW1 SOL 6177 25.490 65.370 56.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20108 ATOM 20104 HW2 SOL 6177 25.180 64.860 58.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20109 ATOM 20105 OW SOL 6178 32.270 57.510 69.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20110 ATOM 20106 HW1 SOL 6178 31.600 58.220 69.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20111 ATOM 20107 HW2 SOL 6178 32.670 57.700 70.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20112 ATOM 20108 OW SOL 6179 21.750 62.500 61.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20113 ATOM 20109 HW1 SOL 6179 21.310 63.020 61.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20114 ATOM 20110 HW2 SOL 6179 21.380 62.800 62.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20115 ATOM 20111 OW SOL 6180 18.050 70.880 57.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20116 ATOM 20112 HW1 SOL 6180 18.950 71.050 56.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20117 ATOM 20113 HW2 SOL 6180 17.970 69.920 57.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20118 ATOM 20114 OW SOL 6181 34.620 64.500 60.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20119 ATOM 20115 HW1 SOL 6181 35.380 64.030 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20120 ATOM 20116 HW2 SOL 6181 34.890 65.450 60.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20121 ATOM 20117 OW SOL 6182 35.370 67.120 60.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20122 ATOM 20118 HW1 SOL 6182 36.350 67.170 60.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20123 ATOM 20119 HW2 SOL 6182 34.920 67.910 61.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20124 ATOM 20120 OW SOL 6183 19.460 64.040 69.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20125 ATOM 20121 HW1 SOL 6183 18.550 64.420 69.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20126 ATOM 20122 HW2 SOL 6183 20.160 64.720 69.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20127 ATOM 20123 OW SOL 6184 23.160 69.360 61.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20128 ATOM 20124 HW1 SOL 6184 23.170 68.520 62.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20129 ATOM 20125 HW2 SOL 6184 22.240 69.740 61.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20130 ATOM 20126 OW SOL 6185 29.270 66.890 0.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20131 ATOM 20127 HW1 SOL 6185 30.220 67.210 0.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20132 ATOM 20128 HW2 SOL 6185 29.260 65.900 0.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20133 ATOM 20129 OW SOL 6186 26.320 54.630 59.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20134 ATOM 20130 HW1 SOL 6186 26.960 55.150 59.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20135 ATOM 20131 HW2 SOL 6186 25.390 54.960 59.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20136 ATOM 20132 OW SOL 6187 20.840 66.420 68.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20137 ATOM 20133 HW1 SOL 6187 21.740 66.330 68.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20138 ATOM 20134 HW2 SOL 6187 20.160 66.650 68.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20139 ATOM 20135 OW SOL 6188 34.710 66.560 57.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20140 ATOM 20136 HW1 SOL 6188 34.100 65.770 57.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20141 ATOM 20137 HW2 SOL 6188 35.040 66.760 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20142 ATOM 20138 OW SOL 6189 21.970 57.040 0.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20143 ATOM 20139 HW1 SOL 6189 22.540 56.490 0.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20144 ATOM 20140 HW2 SOL 6189 21.490 56.430 -0.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20145 ATOM 20141 OW SOL 6190 32.510 67.990 64.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20146 ATOM 20142 HW1 SOL 6190 31.700 68.570 64.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20147 ATOM 20143 HW2 SOL 6190 32.240 67.030 64.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20148 ATOM 20144 OW SOL 6191 23.660 62.420 58.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20149 ATOM 20145 HW1 SOL 6191 23.910 63.360 57.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20150 ATOM 20146 HW2 SOL 6191 23.320 62.390 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20151 ATOM 20147 OW SOL 6192 31.100 59.480 64.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20152 ATOM 20148 HW1 SOL 6192 30.450 58.980 65.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20153 ATOM 20149 HW2 SOL 6192 31.990 59.030 64.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20154 ATOM 20150 OW SOL 6193 34.450 71.660 56.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20155 ATOM 20151 HW1 SOL 6193 35.170 71.900 57.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20156 ATOM 20152 HW2 SOL 6193 34.480 70.680 56.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20157 ATOM 20153 OW SOL 6194 22.710 63.510 68.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20158 ATOM 20154 HW1 SOL 6194 22.100 63.440 69.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20159 ATOM 20155 HW2 SOL 6194 22.610 62.700 67.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20160 ATOM 20156 OW SOL 6195 27.900 62.140 69.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20161 ATOM 20157 HW1 SOL 6195 27.650 61.540 68.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20162 ATOM 20158 HW2 SOL 6195 27.740 63.090 69.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20163 ATOM 20159 OW SOL 6196 29.490 58.230 66.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20164 ATOM 20160 HW1 SOL 6196 28.560 58.570 66.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20165 ATOM 20161 HW2 SOL 6196 29.500 57.230 66.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20166 ATOM 20162 OW SOL 6197 28.640 62.210 58.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20167 ATOM 20163 HW1 SOL 6197 29.300 62.030 59.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20168 ATOM 20164 HW2 SOL 6197 28.940 62.990 58.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20169 ATOM 20165 OW SOL 6198 18.120 61.710 61.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20170 ATOM 20166 HW1 SOL 6198 18.050 61.400 62.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20171 ATOM 20167 HW2 SOL 6198 18.130 62.710 61.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20172 ATOM 20168 OW SOL 6199 17.620 0.700 71.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20173 ATOM 20169 HW1 SOL 6199 17.700 -0.240 71.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20174 ATOM 20170 HW2 SOL 6199 16.980 1.200 72.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20175 ATOM 20171 OW SOL 6200 25.320 57.720 56.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20176 ATOM 20172 HW1 SOL 6200 26.180 58.080 56.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20177 ATOM 20173 HW2 SOL 6200 25.300 56.730 56.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20178 ATOM 20174 OW SOL 6201 32.100 67.030 60.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20179 ATOM 20175 HW1 SOL 6201 32.500 67.830 60.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20180 ATOM 20176 HW2 SOL 6201 31.950 67.200 59.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20181 ATOM 20177 OW SOL 6202 24.280 55.550 65.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20182 ATOM 20178 HW1 SOL 6202 24.720 55.870 65.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20183 ATOM 20179 HW2 SOL 6202 24.450 56.200 64.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20184 ATOM 20180 OW SOL 6203 29.450 71.090 62.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20185 ATOM 20181 HW1 SOL 6203 30.230 71.560 62.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20186 ATOM 20182 HW2 SOL 6203 28.660 71.690 62.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20187 ATOM 20183 OW SOL 6204 21.830 69.780 64.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20188 ATOM 20184 HW1 SOL 6204 22.550 69.120 64.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20189 ATOM 20185 HW2 SOL 6204 22.230 70.660 64.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20190 ATOM 20186 OW SOL 6205 35.120 64.380 64.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20191 ATOM 20187 HW1 SOL 6205 34.390 64.180 63.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20192 ATOM 20188 HW2 SOL 6205 34.720 64.690 65.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20193 ATOM 20189 OW SOL 6206 29.240 67.200 3.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20194 ATOM 20190 HW1 SOL 6206 29.840 66.410 3.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20195 ATOM 20191 HW2 SOL 6206 28.760 67.360 2.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20196 ATOM 20192 OW SOL 6207 22.240 65.410 58.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20197 ATOM 20193 HW1 SOL 6207 23.070 65.300 57.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20198 ATOM 20194 HW2 SOL 6207 21.870 64.520 58.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20199 ATOM 20195 OW SOL 6208 32.840 62.930 63.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20200 ATOM 20196 HW1 SOL 6208 32.800 62.550 63.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20201 ATOM 20197 HW2 SOL 6208 32.170 63.670 62.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20202 ATOM 20198 OW SOL 6209 24.350 66.380 72.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20203 ATOM 20199 HW1 SOL 6209 24.700 65.930 71.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20204 ATOM 20200 HW2 SOL 6209 23.470 66.800 72.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20205 ATOM 20201 OW SOL 6210 19.840 58.960 70.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20206 ATOM 20202 HW1 SOL 6210 19.460 59.460 71.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20207 ATOM 20203 HW2 SOL 6210 19.660 57.980 70.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20208 ATOM 20204 OW SOL 6211 34.390 69.160 56.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20209 ATOM 20205 HW1 SOL 6211 34.240 69.220 55.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20210 ATOM 20206 HW2 SOL 6211 34.070 68.270 56.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20211 ATOM 20207 OW SOL 6212 33.850 56.680 58.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20212 ATOM 20208 HW1 SOL 6212 33.760 55.690 58.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20213 ATOM 20209 HW2 SOL 6212 34.490 57.010 59.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20214 ATOM 20210 OW SOL 6213 23.540 61.190 60.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20215 ATOM 20211 HW1 SOL 6213 23.700 60.210 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20216 ATOM 20212 HW2 SOL 6213 22.780 61.490 61.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20217 ATOM 20213 OW SOL 6214 25.340 55.060 56.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20218 ATOM 20214 HW1 SOL 6214 25.640 54.950 57.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20219 ATOM 20215 HW2 SOL 6214 24.640 54.380 56.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20220 ATOM 20216 OW SOL 6215 24.380 58.870 72.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20221 ATOM 20217 HW1 SOL 6215 25.080 59.380 72.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20222 ATOM 20218 HW2 SOL 6215 23.660 58.580 73.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20223 ATOM 20219 OW SOL 6216 30.330 71.670 67.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20224 ATOM 20220 HW1 SOL 6216 29.930 70.820 67.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20225 ATOM 20221 HW2 SOL 6216 30.100 71.780 68.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20226 ATOM 20222 OW SOL 6217 30.430 60.740 72.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20227 ATOM 20223 HW1 SOL 6217 31.370 60.610 72.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20228 ATOM 20224 HW2 SOL 6217 30.230 61.710 72.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20229 ATOM 20225 OW SOL 6218 27.690 69.630 64.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20230 ATOM 20226 HW1 SOL 6218 28.420 69.450 64.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20231 ATOM 20227 HW2 SOL 6218 26.940 70.110 64.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20232 ATOM 20228 OW SOL 6219 27.770 59.710 62.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20233 ATOM 20229 HW1 SOL 6219 27.800 59.620 61.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20234 ATOM 20230 HW2 SOL 6219 28.290 58.960 63.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20235 ATOM 20231 OW SOL 6220 23.820 55.480 59.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20236 ATOM 20232 HW1 SOL 6220 23.190 55.350 60.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20237 ATOM 20233 HW2 SOL 6220 23.770 56.440 59.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20238 ATOM 20234 OW SOL 6221 31.730 67.330 56.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20239 ATOM 20235 HW1 SOL 6221 32.120 66.410 56.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20240 ATOM 20236 HW2 SOL 6221 30.730 67.270 56.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20241 ATOM 20237 OW SOL 6222 20.120 56.690 57.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20242 ATOM 20238 HW1 SOL 6222 20.520 57.460 57.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20243 ATOM 20239 HW2 SOL 6222 20.680 55.870 57.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20244 ATOM 20240 OW SOL 6223 27.610 59.280 60.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20245 ATOM 20241 HW1 SOL 6223 26.720 59.470 59.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20246 ATOM 20242 HW2 SOL 6223 28.340 59.660 59.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20247 ATOM 20243 OW SOL 6224 26.440 60.130 68.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20248 ATOM 20244 HW1 SOL 6224 25.480 60.340 67.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20249 ATOM 20245 HW2 SOL 6224 26.550 59.140 68.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20250 ATOM 20246 OW SOL 6225 32.400 72.450 63.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20251 ATOM 20247 HW1 SOL 6225 32.540 73.410 62.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20252 ATOM 20248 HW2 SOL 6225 32.840 72.250 64.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20253 ATOM 20249 OW SOL 6226 23.470 66.510 62.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20254 ATOM 20250 HW1 SOL 6226 23.060 65.850 62.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20255 ATOM 20251 HW2 SOL 6226 22.810 66.780 61.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20256 ATOM 20252 OW SOL 6227 27.600 59.350 55.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20257 ATOM 20253 HW1 SOL 6227 27.010 60.140 55.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20258 ATOM 20254 HW2 SOL 6227 28.300 59.340 56.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20259 ATOM 20255 OW SOL 6228 16.130 62.360 68.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20260 ATOM 20256 HW1 SOL 6228 15.700 62.920 68.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20261 ATOM 20257 HW2 SOL 6228 15.530 62.310 67.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20262 ATOM 20258 OW SOL 6229 24.920 56.670 67.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20263 ATOM 20259 HW1 SOL 6229 25.230 56.550 68.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20264 ATOM 20260 HW2 SOL 6229 24.290 57.440 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20265 ATOM 20261 OW SOL 6230 25.370 60.060 58.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20266 ATOM 20262 HW1 SOL 6230 25.180 59.120 58.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20267 ATOM 20263 HW2 SOL 6230 24.510 60.510 58.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20268 ATOM 20264 OW SOL 6231 27.870 56.500 60.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20269 ATOM 20265 HW1 SOL 6231 27.460 57.360 60.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20270 ATOM 20266 HW2 SOL 6231 27.940 56.500 61.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20271 ATOM 20267 OW SOL 6232 31.520 65.340 64.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20272 ATOM 20268 HW1 SOL 6232 30.930 64.810 64.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20273 ATOM 20269 HW2 SOL 6232 31.020 65.560 63.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20274 ATOM 20270 OW SOL 6233 32.190 61.990 65.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20275 ATOM 20271 HW1 SOL 6233 32.000 61.130 65.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20276 ATOM 20272 HW2 SOL 6233 32.420 61.810 66.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20277 ATOM 20273 OW SOL 6234 37.030 63.720 59.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20278 ATOM 20274 HW1 SOL 6234 37.740 63.050 59.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20279 ATOM 20275 HW2 SOL 6234 36.920 63.770 58.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20280 ATOM 20276 OW SOL 6235 24.110 71.560 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20281 ATOM 20277 HW1 SOL 6235 23.400 70.960 57.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20282 ATOM 20278 HW2 SOL 6235 24.360 71.220 56.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20283 ATOM 20279 OW SOL 6236 36.550 69.780 62.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20284 ATOM 20280 HW1 SOL 6236 37.130 69.030 62.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20285 ATOM 20281 HW2 SOL 6236 35.610 69.620 62.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20286 ATOM 20282 OW SOL 6237 32.670 59.840 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20287 ATOM 20283 HW1 SOL 6237 32.210 58.950 56.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20288 ATOM 20284 HW2 SOL 6237 33.550 59.730 55.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20289 ATOM 20285 OW SOL 6238 23.110 57.780 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20290 ATOM 20286 HW1 SOL 6238 23.650 57.780 57.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20291 ATOM 20287 HW2 SOL 6238 22.290 58.330 58.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20292 ATOM 20288 OW SOL 6239 36.900 66.750 68.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20293 ATOM 20289 HW1 SOL 6239 37.570 66.040 68.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20294 ATOM 20290 HW2 SOL 6239 37.350 67.650 68.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20295 ATOM 20291 OW SOL 6240 30.730 72.050 70.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20296 ATOM 20292 HW1 SOL 6240 31.700 71.820 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20297 ATOM 20293 HW2 SOL 6240 30.180 71.610 71.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20298 ATOM 20294 OW SOL 6241 32.610 1.690 0.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20299 ATOM 20295 HW1 SOL 6241 32.460 2.550 -0.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20300 ATOM 20296 HW2 SOL 6241 32.880 0.980 -0.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20301 ATOM 20297 OW SOL 6242 31.120 67.270 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20302 ATOM 20298 HW1 SOL 6242 30.420 67.980 67.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20303 ATOM 20299 HW2 SOL 6242 32.020 67.680 67.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20304 ATOM 20300 OW SOL 6243 33.640 65.410 66.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20305 ATOM 20301 HW1 SOL 6243 33.830 66.180 66.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20306 ATOM 20302 HW2 SOL 6243 32.810 65.610 65.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20307 ATOM 20303 OW SOL 6244 27.710 57.810 69.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20308 ATOM 20304 HW1 SOL 6244 28.140 56.920 68.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20309 ATOM 20305 HW2 SOL 6244 28.180 58.320 69.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20310 ATOM 20306 OW SOL 6245 25.950 65.010 59.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20311 ATOM 20307 HW1 SOL 6245 26.090 65.810 60.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20312 ATOM 20308 HW2 SOL 6245 25.950 64.180 60.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20313 ATOM 20309 OW SOL 6246 23.190 66.110 67.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20314 ATOM 20310 HW1 SOL 6246 23.310 65.150 67.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20315 ATOM 20311 HW2 SOL 6246 23.510 66.280 66.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20316 ATOM 20312 OW SOL 6247 30.570 59.590 68.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20317 ATOM 20313 HW1 SOL 6247 29.810 60.010 69.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20318 ATOM 20314 HW2 SOL 6247 30.210 59.140 67.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20319 ATOM 20315 OW SOL 6248 18.490 68.710 68.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20320 ATOM 20316 HW1 SOL 6248 17.910 68.990 67.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20321 ATOM 20317 HW2 SOL 6248 19.300 69.300 68.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20322 ATOM 20318 OW SOL 6249 21.850 67.230 60.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20323 ATOM 20319 HW1 SOL 6249 21.910 68.130 59.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20324 ATOM 20320 HW2 SOL 6249 22.270 66.550 59.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20325 ATOM 20321 OW SOL 6250 24.860 57.630 63.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20326 ATOM 20322 HW1 SOL 6250 24.270 57.880 62.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20327 ATOM 20323 HW2 SOL 6250 25.340 58.440 63.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20328 ATOM 20324 OW SOL 6251 30.660 70.210 59.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20329 ATOM 20325 HW1 SOL 6251 31.560 70.670 59.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20330 ATOM 20326 HW2 SOL 6251 30.080 70.590 60.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20331 ATOM 20327 OW SOL 6252 32.780 70.230 67.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20332 ATOM 20328 HW1 SOL 6252 32.810 69.780 68.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20333 ATOM 20329 HW2 SOL 6252 32.140 70.990 67.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20334 ATOM 20330 OW SOL 6253 34.340 60.840 58.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20335 ATOM 20331 HW1 SOL 6253 33.420 60.620 58.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20336 ATOM 20332 HW2 SOL 6253 34.750 61.530 58.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20337 ATOM 20333 OW SOL 6254 23.710 70.560 70.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20338 ATOM 20334 HW1 SOL 6254 23.660 71.470 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20339 ATOM 20335 HW2 SOL 6254 24.540 70.480 70.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20340 ATOM 20336 OW SOL 6255 22.720 62.690 71.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20341 ATOM 20337 HW1 SOL 6255 23.240 63.390 72.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20342 ATOM 20338 HW2 SOL 6255 23.340 62.190 71.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20343 ATOM 20339 OW SOL 6256 35.880 64.310 0.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20344 ATOM 20340 HW1 SOL 6256 35.330 64.720 0.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20345 ATOM 20341 HW2 SOL 6256 35.610 64.690 -0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20346 ATOM 20342 OW SOL 6257 27.500 66.760 65.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20347 ATOM 20343 HW1 SOL 6257 27.970 66.470 66.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20348 ATOM 20344 HW2 SOL 6257 27.170 67.700 65.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20349 ATOM 20345 OW SOL 6258 29.870 63.500 65.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20350 ATOM 20346 HW1 SOL 6258 29.130 63.260 64.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20351 ATOM 20347 HW2 SOL 6258 30.570 62.780 65.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20352 ATOM 20348 OW SOL 6259 29.460 59.800 57.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20353 ATOM 20349 HW1 SOL 6259 30.400 59.470 57.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20354 ATOM 20350 HW2 SOL 6259 29.460 60.800 57.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20355 ATOM 20351 OW SOL 6260 23.060 58.590 67.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20356 ATOM 20352 HW1 SOL 6260 23.040 58.830 68.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20357 ATOM 20353 HW2 SOL 6260 22.240 58.060 67.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20358 ATOM 20354 OW SOL 6261 18.090 66.070 68.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20359 ATOM 20355 HW1 SOL 6261 17.210 65.760 67.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20360 ATOM 20356 HW2 SOL 6261 18.140 67.070 68.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20361 ATOM 20357 OW SOL 6262 25.800 60.100 64.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20362 ATOM 20358 HW1 SOL 6262 26.340 60.070 63.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20363 ATOM 20359 HW2 SOL 6262 25.400 61.010 64.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20364 ATOM 20360 OW SOL 6263 21.890 55.810 61.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20365 ATOM 20361 HW1 SOL 6263 21.330 56.630 61.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20366 ATOM 20362 HW2 SOL 6263 21.620 55.320 62.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20367 ATOM 20363 OW SOL 6264 36.350 58.950 58.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20368 ATOM 20364 HW1 SOL 6264 36.260 58.350 59.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20369 ATOM 20365 HW2 SOL 6264 35.810 59.780 58.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20370 ATOM 20366 OW SOL 6265 28.460 62.170 63.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20371 ATOM 20367 HW1 SOL 6265 27.690 62.800 63.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20372 ATOM 20368 HW2 SOL 6265 28.100 61.250 63.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20373 ATOM 20369 OW SOL 6266 33.450 71.550 71.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20374 ATOM 20370 HW1 SOL 6266 34.440 71.660 71.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20375 ATOM 20371 HW2 SOL 6266 33.230 71.220 72.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20376 ATOM 20372 OW SOL 6267 32.910 57.040 56.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20377 ATOM 20373 HW1 SOL 6267 32.240 56.300 56.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20378 ATOM 20374 HW2 SOL 6267 33.010 57.250 57.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20379 ATOM 20375 OW SOL 6268 32.930 62.490 56.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20380 ATOM 20376 HW1 SOL 6268 32.690 61.520 56.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20381 ATOM 20377 HW2 SOL 6268 33.390 62.830 55.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20382 ATOM 20378 OW SOL 6269 29.780 68.860 63.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20383 ATOM 20379 HW1 SOL 6269 29.850 67.930 63.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20384 ATOM 20380 HW2 SOL 6269 29.650 69.500 62.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20385 ATOM 20381 OW SOL 6270 24.370 62.350 65.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20386 ATOM 20382 HW1 SOL 6270 24.870 62.960 65.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20387 ATOM 20383 HW2 SOL 6270 23.440 62.220 65.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20388 ATOM 20384 OW SOL 6271 22.490 61.230 66.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20389 ATOM 20385 HW1 SOL 6271 22.930 60.330 66.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20390 ATOM 20386 HW2 SOL 6271 21.580 61.150 67.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20391 ATOM 20387 OW SOL 6272 28.480 59.140 71.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20392 ATOM 20388 HW1 SOL 6272 28.350 58.350 71.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20393 ATOM 20389 HW2 SOL 6272 29.180 59.740 71.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20394 ATOM 20390 OW SOL 6273 18.990 69.190 54.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20395 ATOM 20391 HW1 SOL 6273 18.090 69.010 55.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20396 ATOM 20392 HW2 SOL 6273 19.680 69.200 55.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20397 ATOM 20393 OW SOL 6274 23.910 67.940 64.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20398 ATOM 20394 HW1 SOL 6274 23.810 66.960 64.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20399 ATOM 20395 HW2 SOL 6274 24.880 68.170 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20400 ATOM 20396 OW SOL 6275 25.550 64.470 66.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20401 ATOM 20397 HW1 SOL 6275 25.650 65.060 67.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20402 ATOM 20398 HW2 SOL 6275 25.910 64.930 65.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20403 ATOM 20399 OW SOL 6276 18.360 60.050 64.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20404 ATOM 20400 HW1 SOL 6276 18.500 59.060 64.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20405 ATOM 20401 HW2 SOL 6276 18.650 60.470 64.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20406 ATOM 20402 OW SOL 6277 26.850 61.840 56.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20407 ATOM 20403 HW1 SOL 6277 26.470 61.520 57.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20408 ATOM 20404 HW2 SOL 6277 27.710 62.320 56.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20409 ATOM 20405 OW SOL 6278 32.720 61.160 68.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20410 ATOM 20406 HW1 SOL 6278 31.950 60.740 68.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20411 ATOM 20407 HW2 SOL 6278 33.430 60.480 67.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20412 ATOM 20408 OW SOL 6279 18.950 70.460 71.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20413 ATOM 20409 HW1 SOL 6279 19.240 70.960 72.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20414 ATOM 20410 HW2 SOL 6279 19.740 70.230 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20415 ATOM 20411 OW SOL 6280 27.000 57.800 65.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20416 ATOM 20412 HW1 SOL 6280 26.290 57.160 65.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20417 ATOM 20413 HW2 SOL 6280 26.600 58.710 65.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20418 ATOM 20414 OW SOL 6281 22.070 61.860 55.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20419 ATOM 20415 HW1 SOL 6281 21.460 62.650 55.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20420 ATOM 20416 HW2 SOL 6281 22.700 61.960 56.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20421 ATOM 20417 OW SOL 6282 21.450 67.240 71.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20422 ATOM 20418 HW1 SOL 6282 21.060 66.480 71.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20423 ATOM 20419 HW2 SOL 6282 21.320 67.070 70.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20424 ATOM 20420 OW SOL 6283 29.100 65.390 67.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20425 ATOM 20421 HW1 SOL 6283 29.390 64.800 66.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20426 ATOM 20422 HW2 SOL 6283 29.880 65.920 67.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20427 ATOM 20423 OW SOL 6284 32.410 64.770 57.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20428 ATOM 20424 HW1 SOL 6284 32.170 64.720 58.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20429 ATOM 20425 HW2 SOL 6284 32.440 63.850 57.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20430 ATOM 20426 OW SOL 6285 35.360 0.700 67.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20431 ATOM 20427 HW1 SOL 6285 36.100 1.220 67.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20432 ATOM 20428 HW2 SOL 6285 35.500 -0.280 67.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20433 ATOM 20429 OW SOL 6286 33.480 71.640 65.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20434 ATOM 20430 HW1 SOL 6286 34.070 72.420 65.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20435 ATOM 20431 HW2 SOL 6286 33.430 71.020 66.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20436 ATOM 20432 OW SOL 6287 20.560 63.780 64.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20437 ATOM 20433 HW1 SOL 6287 19.990 63.480 65.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20438 ATOM 20434 HW2 SOL 6287 20.000 63.860 63.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20439 ATOM 20435 OW SOL 6288 36.420 56.880 60.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20440 ATOM 20436 HW1 SOL 6288 37.290 56.720 59.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20441 ATOM 20437 HW2 SOL 6288 36.090 56.030 60.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20442 ATOM 20438 OW SOL 6289 33.050 71.240 60.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20443 ATOM 20439 HW1 SOL 6289 33.380 72.020 60.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20444 ATOM 20440 HW2 SOL 6289 32.700 71.560 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20445 ATOM 20441 OW SOL 6290 31.970 64.360 60.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20446 ATOM 20442 HW1 SOL 6290 32.970 64.260 60.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20447 ATOM 20443 HW2 SOL 6290 31.720 65.290 60.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20448 ATOM 20444 OW SOL 6291 28.190 66.900 70.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20449 ATOM 20445 HW1 SOL 6291 28.580 67.190 71.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20450 ATOM 20446 HW2 SOL 6291 27.630 67.640 70.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20451 ATOM 20447 OW SOL 6292 28.280 0.310 58.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20452 ATOM 20448 HW1 SOL 6292 28.130 -0.660 58.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20453 ATOM 20449 HW2 SOL 6292 29.180 0.580 58.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20454 ATOM 20450 OW SOL 6293 35.500 56.660 62.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20455 ATOM 20451 HW1 SOL 6293 35.550 55.840 62.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20456 ATOM 20452 HW2 SOL 6293 34.720 57.210 62.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20457 ATOM 20453 OW SOL 6294 20.750 58.110 62.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20458 ATOM 20454 HW1 SOL 6294 20.370 58.780 61.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20459 ATOM 20455 HW2 SOL 6294 20.180 58.100 62.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20460 ATOM 20456 OW SOL 6295 28.990 71.190 55.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20461 ATOM 20457 HW1 SOL 6295 28.630 71.170 56.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20462 ATOM 20458 HW2 SOL 6295 28.770 70.330 55.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20463 ATOM 20459 OW SOL 6296 27.150 64.860 69.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20464 ATOM 20460 HW1 SOL 6296 27.930 64.780 68.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20465 ATOM 20461 HW2 SOL 6296 27.230 65.700 69.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20466 ATOM 20462 OW SOL 6297 25.910 62.590 60.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20467 ATOM 20463 HW1 SOL 6297 26.710 62.240 60.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20468 ATOM 20464 HW2 SOL 6297 25.100 62.050 60.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20469 ATOM 20465 OW SOL 6298 21.140 69.710 70.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20470 ATOM 20466 HW1 SOL 6298 22.070 70.060 70.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20471 ATOM 20467 HW2 SOL 6298 21.170 68.730 70.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20472 ATOM 20468 OW SOL 6299 34.040 67.170 68.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20473 ATOM 20469 HW1 SOL 6299 35.040 67.120 68.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20474 ATOM 20470 HW2 SOL 6299 33.790 67.830 69.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20475 ATOM 20471 OW SOL 6300 30.120 66.570 62.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20476 ATOM 20472 HW1 SOL 6300 29.330 66.000 61.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20477 ATOM 20473 HW2 SOL 6300 30.730 66.570 61.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20478 ATOM 20474 OW SOL 6301 27.970 56.520 63.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20479 ATOM 20475 HW1 SOL 6301 27.700 57.030 63.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20480 ATOM 20476 HW2 SOL 6301 27.870 55.540 63.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20481 ATOM 20477 OW SOL 6302 24.980 71.690 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20482 ATOM 20478 HW1 SOL 6302 25.100 71.910 59.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20483 ATOM 20479 HW2 SOL 6302 24.140 72.110 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20484 ATOM 20480 OW SOL 6303 36.110 58.560 69.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20485 ATOM 20481 HW1 SOL 6303 36.700 59.210 68.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20486 ATOM 20482 HW2 SOL 6303 35.250 58.460 68.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20487 ATOM 20483 OW SOL 6304 22.620 69.940 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20488 ATOM 20484 HW1 SOL 6304 21.720 70.220 59.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20489 ATOM 20485 HW2 SOL 6304 23.310 70.070 59.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20490 ATOM 20486 OW SOL 6305 18.850 66.490 1.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20491 ATOM 20487 HW1 SOL 6305 18.560 66.830 0.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20492 ATOM 20488 HW2 SOL 6305 19.630 65.880 0.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20493 ATOM 20489 OW SOL 6306 25.180 57.160 70.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20494 ATOM 20490 HW1 SOL 6306 26.120 57.330 70.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20495 ATOM 20491 HW2 SOL 6306 24.910 57.810 71.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20496 ATOM 20492 OW SOL 6307 19.010 60.240 56.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20497 ATOM 20493 HW1 SOL 6307 18.470 60.800 55.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20498 ATOM 20494 HW2 SOL 6307 18.390 59.730 57.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20499 ATOM 20495 OW SOL 6308 31.660 65.390 69.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20500 ATOM 20496 HW1 SOL 6308 31.370 66.070 69.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20501 ATOM 20497 HW2 SOL 6308 32.400 64.830 69.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20502 ATOM 20498 OW SOL 6309 17.460 56.810 58.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20503 ATOM 20499 HW1 SOL 6309 16.890 56.530 57.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20504 ATOM 20500 HW2 SOL 6309 18.400 56.500 58.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20505 ATOM 20501 OW SOL 6310 28.530 70.080 57.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20506 ATOM 20502 HW1 SOL 6310 27.730 69.800 58.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20507 ATOM 20503 HW2 SOL 6310 29.350 70.010 58.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20508 ATOM 20504 OW SOL 6311 24.790 64.630 70.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20509 ATOM 20505 HW1 SOL 6311 25.730 64.650 69.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20510 ATOM 20506 HW2 SOL 6311 24.240 64.060 69.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20511 ATOM 20507 OW SOL 6312 36.280 70.560 66.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20512 ATOM 20508 HW1 SOL 6312 36.390 71.100 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20513 ATOM 20509 HW2 SOL 6312 35.670 69.790 66.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20514 ATOM 20510 OW SOL 6313 24.490 61.450 70.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20515 ATOM 20511 HW1 SOL 6313 25.340 61.810 70.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20516 ATOM 20512 HW2 SOL 6313 24.470 60.460 70.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20517 ATOM 20513 OW SOL 6314 22.540 1.250 72.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20518 ATOM 20514 HW1 SOL 6314 21.660 1.370 72.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20519 ATOM 20515 HW2 SOL 6314 22.500 1.690 71.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20520 ATOM 20516 OW SOL 6315 33.820 63.750 68.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20521 ATOM 20517 HW1 SOL 6315 33.540 62.790 68.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20522 ATOM 20518 HW2 SOL 6315 33.870 64.080 67.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20523 ATOM 20519 OW SOL 6316 31.820 58.610 58.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20524 ATOM 20520 HW1 SOL 6316 32.690 58.110 58.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20525 ATOM 20521 HW2 SOL 6316 31.700 59.050 59.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20526 ATOM 20522 OW SOL 6317 26.050 63.290 63.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20527 ATOM 20523 HW1 SOL 6317 25.390 62.910 64.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20528 ATOM 20524 HW2 SOL 6317 25.780 63.050 62.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20529 ATOM 20525 OW SOL 6318 35.160 65.450 70.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20530 ATOM 20526 HW1 SOL 6318 35.880 66.000 69.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20531 ATOM 20527 HW2 SOL 6318 34.710 64.900 69.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20532 ATOM 20528 OW SOL 6319 28.570 66.440 57.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20533 ATOM 20529 HW1 SOL 6319 27.820 66.660 56.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20534 ATOM 20530 HW2 SOL 6319 28.300 66.650 57.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20535 ATOM 20531 OW SOL 6320 27.530 65.560 62.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20536 ATOM 20532 HW1 SOL 6320 26.870 64.820 63.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20537 ATOM 20533 HW2 SOL 6320 27.670 65.970 63.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20538 ATOM 20534 OW SOL 6321 29.460 63.880 56.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20539 ATOM 20535 HW1 SOL 6321 28.980 64.750 56.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20540 ATOM 20536 HW2 SOL 6321 30.330 64.040 56.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20541 ATOM 20537 OW SOL 6322 36.690 72.040 64.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20542 ATOM 20538 HW1 SOL 6322 37.440 72.640 63.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20543 ATOM 20539 HW2 SOL 6322 36.590 71.310 63.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20544 ATOM 20540 OW SOL 6323 19.900 66.980 62.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20545 ATOM 20541 HW1 SOL 6323 19.640 67.870 62.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20546 ATOM 20542 HW2 SOL 6323 20.540 67.120 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20547 ATOM 20543 OW SOL 6324 26.620 67.840 0.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20548 ATOM 20544 HW1 SOL 6324 25.750 67.430 0.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20549 ATOM 20545 HW2 SOL 6324 27.370 67.270 0.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20550 ATOM 20546 OW SOL 6325 34.390 55.880 66.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20551 ATOM 20547 HW1 SOL 6325 34.280 55.880 65.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20552 ATOM 20548 HW2 SOL 6325 35.360 55.950 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20553 ATOM 20549 OW SOL 6326 23.250 58.560 61.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20554 ATOM 20550 HW1 SOL 6326 23.330 58.100 60.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20555 ATOM 20551 HW2 SOL 6326 22.320 58.440 61.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20556 ATOM 20552 OW SOL 6327 34.570 68.440 65.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20557 ATOM 20553 HW1 SOL 6327 33.930 68.350 65.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20558 ATOM 20554 HW2 SOL 6327 34.070 68.600 66.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20559 ATOM 20555 OW SOL 6328 19.760 61.220 68.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20560 ATOM 20556 HW1 SOL 6328 19.470 62.130 68.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20561 ATOM 20557 HW2 SOL 6328 20.110 60.720 69.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20562 ATOM 20558 OW SOL 6329 25.820 69.770 62.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20563 ATOM 20559 HW1 SOL 6329 26.060 70.710 62.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20564 ATOM 20560 HW2 SOL 6329 24.990 69.510 62.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20565 ATOM 20561 OW SOL 6330 33.640 58.340 67.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20566 ATOM 20562 HW1 SOL 6330 33.910 57.530 66.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20567 ATOM 20563 HW2 SOL 6330 32.870 58.110 67.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20568 ATOM 20564 OW SOL 6331 28.210 55.050 68.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20569 ATOM 20565 HW1 SOL 6331 27.600 54.270 68.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20570 ATOM 20566 HW2 SOL 6331 28.620 55.000 67.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20571 ATOM 20567 OW SOL 6332 26.510 69.410 59.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20572 ATOM 20568 HW1 SOL 6332 25.950 70.160 59.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20573 ATOM 20569 HW2 SOL 6332 26.400 68.620 60.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20574 ATOM 20570 OW SOL 6333 26.190 71.160 71.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20575 ATOM 20571 HW1 SOL 6333 26.230 70.820 72.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20576 ATOM 20572 HW2 SOL 6333 26.320 72.150 71.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20577 ATOM 20573 OW SOL 6334 32.120 54.310 58.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20578 ATOM 20574 HW1 SOL 6334 32.430 54.200 57.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20579 ATOM 20575 HW2 SOL 6334 31.270 54.850 58.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20580 ATOM 20576 OW SOL 6335 31.200 59.250 61.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20581 ATOM 20577 HW1 SOL 6335 30.710 60.130 61.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20582 ATOM 20578 HW2 SOL 6335 31.220 58.950 62.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20583 ATOM 20579 OW SOL 6336 33.240 58.000 64.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20584 ATOM 20580 HW1 SOL 6336 33.520 58.390 65.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20585 ATOM 20581 HW2 SOL 6336 33.830 58.360 63.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20586 ATOM 20582 OW SOL 6337 20.340 67.140 56.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20587 ATOM 20583 HW1 SOL 6337 21.080 66.690 57.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20588 ATOM 20584 HW2 SOL 6337 20.230 66.690 56.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20589 ATOM 20585 OW SOL 6338 38.450 4.670 0.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20590 ATOM 20586 HW1 SOL 6338 37.710 4.090 0.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20591 ATOM 20587 HW2 SOL 6338 38.530 5.470 -0.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20592 ATOM 20588 OW SOL 6339 36.170 72.380 7.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20593 ATOM 20589 HW1 SOL 6339 36.560 72.410 8.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20594 ATOM 20590 HW2 SOL 6339 35.360 72.960 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20595 ATOM 20591 OW SOL 6340 35.960 3.930 6.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20596 ATOM 20592 HW1 SOL 6340 35.190 3.550 6.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20597 ATOM 20593 HW2 SOL 6340 35.630 4.290 5.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20598 ATOM 20594 OW SOL 6341 42.180 12.650 12.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20599 ATOM 20595 HW1 SOL 6341 41.620 11.860 12.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20600 ATOM 20596 HW2 SOL 6341 41.740 13.480 12.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20601 ATOM 20597 OW SOL 6342 52.920 14.430 8.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20602 ATOM 20598 HW1 SOL 6342 52.180 13.790 8.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20603 ATOM 20599 HW2 SOL 6342 52.530 15.250 7.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20604 ATOM 20600 OW SOL 6343 45.630 6.730 4.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20605 ATOM 20601 HW1 SOL 6343 46.000 5.810 4.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20606 ATOM 20602 HW2 SOL 6343 44.670 6.670 4.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20607 ATOM 20603 OW SOL 6344 51.940 5.970 2.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20608 ATOM 20604 HW1 SOL 6344 52.660 6.250 3.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20609 ATOM 20605 HW2 SOL 6344 51.250 6.700 2.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20610 ATOM 20606 OW SOL 6345 43.980 10.670 11.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20611 ATOM 20607 HW1 SOL 6345 43.950 10.730 12.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20612 ATOM 20608 HW2 SOL 6345 43.690 11.540 10.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20613 ATOM 20609 OW SOL 6346 44.730 7.220 17.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20614 ATOM 20610 HW1 SOL 6346 45.140 7.750 18.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20615 ATOM 20611 HW2 SOL 6346 43.870 7.660 17.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20616 ATOM 20612 OW SOL 6347 43.970 9.370 6.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20617 ATOM 20613 HW1 SOL 6347 44.410 8.900 7.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20618 ATOM 20614 HW2 SOL 6347 43.190 9.900 7.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20619 ATOM 20615 OW SOL 6348 44.050 10.270 18.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20620 ATOM 20616 HW1 SOL 6348 44.920 10.010 18.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20621 ATOM 20617 HW2 SOL 6348 43.440 10.650 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20622 ATOM 20618 OW SOL 6349 40.430 14.510 11.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20623 ATOM 20619 HW1 SOL 6349 39.590 14.250 11.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20624 ATOM 20620 HW2 SOL 6349 41.080 14.910 10.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20625 ATOM 20621 OW SOL 6350 50.220 13.930 13.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20626 ATOM 20622 HW1 SOL 6350 50.680 14.810 14.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20627 ATOM 20623 HW2 SOL 6350 49.440 13.860 14.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20628 ATOM 20624 OW SOL 6351 40.870 2.320 13.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20629 ATOM 20625 HW1 SOL 6351 41.840 2.110 13.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20630 ATOM 20626 HW2 SOL 6351 40.430 2.220 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20631 ATOM 20627 OW SOL 6352 52.410 2.560 5.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20632 ATOM 20628 HW1 SOL 6352 52.430 2.810 4.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20633 ATOM 20629 HW2 SOL 6352 52.170 3.370 6.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20634 ATOM 20630 OW SOL 6353 39.910 16.830 3.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20635 ATOM 20631 HW1 SOL 6353 40.550 17.460 4.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20636 ATOM 20632 HW2 SOL 6353 39.020 17.260 3.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20637 ATOM 20633 OW SOL 6354 48.750 11.900 18.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20638 ATOM 20634 HW1 SOL 6354 49.570 11.350 18.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20639 ATOM 20635 HW2 SOL 6354 48.000 11.310 17.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20640 ATOM 20636 OW SOL 6355 37.580 15.940 4.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20641 ATOM 20637 HW1 SOL 6355 38.520 15.920 4.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20642 ATOM 20638 HW2 SOL 6355 37.590 15.950 5.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20643 ATOM 20639 OW SOL 6356 39.390 10.890 9.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20644 ATOM 20640 HW1 SOL 6356 40.040 10.680 10.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20645 ATOM 20641 HW2 SOL 6356 38.500 11.100 9.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20646 ATOM 20642 OW SOL 6357 43.730 19.690 14.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20647 ATOM 20643 HW1 SOL 6357 42.900 19.160 15.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20648 ATOM 20644 HW2 SOL 6357 44.240 19.230 14.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20649 ATOM 20645 OW SOL 6358 42.150 9.610 4.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20650 ATOM 20646 HW1 SOL 6358 41.550 10.390 4.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20651 ATOM 20647 HW2 SOL 6358 43.020 9.940 3.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20652 ATOM 20648 OW SOL 6359 52.670 72.130 13.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20653 ATOM 20649 HW1 SOL 6359 52.030 72.890 13.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20654 ATOM 20650 HW2 SOL 6359 53.200 72.280 12.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20655 ATOM 20651 OW SOL 6360 37.040 6.440 6.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20656 ATOM 20652 HW1 SOL 6360 36.890 5.450 6.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20657 ATOM 20653 HW2 SOL 6360 37.090 6.820 7.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20658 ATOM 20654 OW SOL 6361 53.990 13.580 4.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20659 ATOM 20655 HW1 SOL 6361 53.940 13.250 4.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20660 ATOM 20656 HW2 SOL 6361 54.130 14.570 4.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20661 ATOM 20657 OW SOL 6362 36.620 15.280 0.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20662 ATOM 20658 HW1 SOL 6362 35.790 15.200 -0.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20663 ATOM 20659 HW2 SOL 6362 36.390 15.660 1.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20664 ATOM 20660 OW SOL 6363 52.620 9.320 5.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20665 ATOM 20661 HW1 SOL 6363 53.460 9.560 5.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20666 ATOM 20662 HW2 SOL 6363 52.100 10.150 5.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20667 ATOM 20663 OW SOL 6364 51.440 11.650 3.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20668 ATOM 20664 HW1 SOL 6364 51.310 11.110 3.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20669 ATOM 20665 HW2 SOL 6364 52.160 12.330 3.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20670 ATOM 20666 OW SOL 6365 38.230 7.570 15.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20671 ATOM 20667 HW1 SOL 6365 38.680 8.450 15.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20672 ATOM 20668 HW2 SOL 6365 37.270 7.650 15.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20673 ATOM 20669 OW SOL 6366 42.870 12.750 7.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20674 ATOM 20670 HW1 SOL 6366 42.320 11.920 7.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20675 ATOM 20671 HW2 SOL 6366 42.750 13.170 6.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20676 ATOM 20672 OW SOL 6367 48.390 11.070 14.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20677 ATOM 20673 HW1 SOL 6367 47.980 10.760 13.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20678 ATOM 20674 HW2 SOL 6367 49.130 10.460 14.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20679 ATOM 20675 OW SOL 6368 44.240 70.890 2.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20680 ATOM 20676 HW1 SOL 6368 44.540 71.740 2.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20681 ATOM 20677 HW2 SOL 6368 44.380 70.130 2.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20682 ATOM 20678 OW SOL 6369 40.440 10.610 12.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20683 ATOM 20679 HW1 SOL 6369 40.440 9.640 12.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20684 ATOM 20680 HW2 SOL 6369 39.600 10.830 12.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20685 ATOM 20681 OW SOL 6370 51.450 7.200 72.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20686 ATOM 20682 HW1 SOL 6370 51.060 6.800 73.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20687 ATOM 20683 HW2 SOL 6370 52.250 6.680 71.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20688 ATOM 20684 OW SOL 6371 48.520 16.540 16.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20689 ATOM 20685 HW1 SOL 6371 49.110 17.210 17.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20690 ATOM 20686 HW2 SOL 6371 48.600 16.620 15.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20691 ATOM 20687 OW SOL 6372 41.610 3.140 18.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20692 ATOM 20688 HW1 SOL 6372 41.060 3.970 18.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20693 ATOM 20689 HW2 SOL 6372 41.460 2.650 17.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20694 ATOM 20690 OW SOL 6373 51.300 12.310 9.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20695 ATOM 20691 HW1 SOL 6373 50.670 12.130 9.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20696 ATOM 20692 HW2 SOL 6373 50.870 12.050 8.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20697 ATOM 20693 OW SOL 6374 54.040 17.790 6.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20698 ATOM 20694 HW1 SOL 6374 53.220 17.230 6.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20699 ATOM 20695 HW2 SOL 6374 54.480 17.950 7.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20700 ATOM 20696 OW SOL 6375 42.980 4.700 1.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20701 ATOM 20697 HW1 SOL 6375 43.940 4.650 0.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20702 ATOM 20698 HW2 SOL 6375 42.800 5.590 1.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20703 ATOM 20699 OW SOL 6376 48.840 5.310 8.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20704 ATOM 20700 HW1 SOL 6376 47.870 5.340 8.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20705 ATOM 20701 HW2 SOL 6376 49.150 6.220 8.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20706 ATOM 20702 OW SOL 6377 51.330 15.220 4.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20707 ATOM 20703 HW1 SOL 6377 52.030 15.200 3.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20708 ATOM 20704 HW2 SOL 6377 50.430 15.160 3.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20709 ATOM 20705 OW SOL 6378 43.720 4.050 13.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20710 ATOM 20706 HW1 SOL 6378 44.320 4.390 14.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20711 ATOM 20707 HW2 SOL 6378 43.590 3.060 13.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20712 ATOM 20708 OW SOL 6379 50.870 6.000 16.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20713 ATOM 20709 HW1 SOL 6379 50.980 6.150 17.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20714 ATOM 20710 HW2 SOL 6379 50.450 5.110 16.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20715 ATOM 20711 OW SOL 6380 46.180 7.780 15.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20716 ATOM 20712 HW1 SOL 6380 46.980 7.360 14.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20717 ATOM 20713 HW2 SOL 6380 45.900 7.250 15.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20718 ATOM 20714 OW SOL 6381 49.150 2.910 11.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20719 ATOM 20715 HW1 SOL 6381 48.240 2.710 10.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20720 ATOM 20716 HW2 SOL 6381 49.430 2.160 11.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20721 ATOM 20717 OW SOL 6382 46.520 5.640 2.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20722 ATOM 20718 HW1 SOL 6382 47.420 5.520 2.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20723 ATOM 20719 HW2 SOL 6382 46.140 6.530 2.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20724 ATOM 20720 OW SOL 6383 37.610 7.230 9.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20725 ATOM 20721 HW1 SOL 6383 38.550 7.570 8.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20726 ATOM 20722 HW2 SOL 6383 37.550 6.530 9.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20727 ATOM 20723 OW SOL 6384 38.630 17.730 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20728 ATOM 20724 HW1 SOL 6384 38.530 17.690 16.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20729 ATOM 20725 HW2 SOL 6384 38.160 16.940 15.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20730 ATOM 20726 OW SOL 6385 48.950 0.910 0.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20731 ATOM 20727 HW1 SOL 6385 49.060 1.120 1.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20732 ATOM 20728 HW2 SOL 6385 48.270 0.190 -0.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20733 ATOM 20729 OW SOL 6386 54.210 4.050 15.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20734 ATOM 20730 HW1 SOL 6386 53.720 4.610 15.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20735 ATOM 20731 HW2 SOL 6386 54.070 3.090 15.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20736 ATOM 20732 OW SOL 6387 48.960 13.080 3.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20737 ATOM 20733 HW1 SOL 6387 49.730 12.460 3.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20738 ATOM 20734 HW2 SOL 6387 48.490 13.270 4.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20739 ATOM 20735 OW SOL 6388 42.710 3.120 6.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20740 ATOM 20736 HW1 SOL 6388 42.810 2.670 7.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20741 ATOM 20737 HW2 SOL 6388 42.480 4.080 6.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20742 ATOM 20738 OW SOL 6389 47.110 15.530 4.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20743 ATOM 20739 HW1 SOL 6389 46.140 15.750 4.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20744 ATOM 20740 HW2 SOL 6389 47.380 14.820 4.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20745 ATOM 20741 OW SOL 6390 41.380 17.870 9.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20746 ATOM 20742 HW1 SOL 6390 41.210 16.890 9.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20747 ATOM 20743 HW2 SOL 6390 42.360 18.040 9.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20748 ATOM 20744 OW SOL 6391 51.830 8.800 8.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20749 ATOM 20745 HW1 SOL 6391 50.960 9.110 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20750 ATOM 20746 HW2 SOL 6391 52.070 9.380 9.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20751 ATOM 20747 OW SOL 6392 48.080 13.140 15.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20752 ATOM 20748 HW1 SOL 6392 48.160 12.820 16.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20753 ATOM 20749 HW2 SOL 6392 48.050 12.360 15.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20754 ATOM 20750 OW SOL 6393 39.420 9.260 2.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20755 ATOM 20751 HW1 SOL 6393 40.340 9.450 2.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20756 ATOM 20752 HW2 SOL 6393 39.430 8.410 3.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20757 ATOM 20753 OW SOL 6394 49.970 6.990 5.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20758 ATOM 20754 HW1 SOL 6394 50.490 6.190 6.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20759 ATOM 20755 HW2 SOL 6394 50.330 7.300 4.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20760 ATOM 20756 OW SOL 6395 42.090 11.000 16.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20761 ATOM 20757 HW1 SOL 6395 41.430 11.500 16.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20762 ATOM 20758 HW2 SOL 6395 41.810 10.040 16.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20763 ATOM 20759 OW SOL 6396 49.190 16.210 2.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20764 ATOM 20760 HW1 SOL 6396 48.440 15.900 3.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20765 ATOM 20761 HW2 SOL 6396 49.590 15.430 2.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20766 ATOM 20762 OW SOL 6397 39.640 2.520 15.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20767 ATOM 20763 HW1 SOL 6397 39.370 3.470 15.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20768 ATOM 20764 HW2 SOL 6397 38.830 1.940 15.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20769 ATOM 20765 OW SOL 6398 51.180 9.900 71.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20770 ATOM 20766 HW1 SOL 6398 50.250 10.190 71.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20771 ATOM 20767 HW2 SOL 6398 51.210 8.900 71.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20772 ATOM 20768 OW SOL 6399 41.080 15.300 1.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20773 ATOM 20769 HW1 SOL 6399 40.380 15.050 0.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20774 ATOM 20770 HW2 SOL 6399 40.650 15.570 2.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20775 ATOM 20771 OW SOL 6400 51.750 0.480 2.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20776 ATOM 20772 HW1 SOL 6400 52.330 -0.250 2.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20777 ATOM 20773 HW2 SOL 6400 52.300 1.290 3.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20778 ATOM 20774 OW SOL 6401 39.840 18.600 12.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20779 ATOM 20775 HW1 SOL 6401 40.490 17.840 12.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20780 ATOM 20776 HW2 SOL 6401 38.970 18.270 12.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20781 ATOM 20777 OW SOL 6402 45.840 16.510 7.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20782 ATOM 20778 HW1 SOL 6402 46.670 16.010 7.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20783 ATOM 20779 HW2 SOL 6402 45.180 16.460 6.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20784 ATOM 20780 OW SOL 6403 38.770 7.190 4.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20785 ATOM 20781 HW1 SOL 6403 38.850 6.470 3.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20786 ATOM 20782 HW2 SOL 6403 38.130 6.890 5.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20787 ATOM 20783 OW SOL 6404 50.210 3.430 15.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20788 ATOM 20784 HW1 SOL 6404 50.420 2.750 16.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20789 ATOM 20785 HW2 SOL 6404 49.220 3.560 15.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20790 ATOM 20786 OW SOL 6405 42.400 71.610 70.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20791 ATOM 20787 HW1 SOL 6405 42.910 72.430 70.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20792 ATOM 20788 HW2 SOL 6405 41.430 71.740 70.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20793 ATOM 20789 OW SOL 6406 45.310 2.200 17.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20794 ATOM 20790 HW1 SOL 6406 45.920 1.420 17.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20795 ATOM 20791 HW2 SOL 6406 44.360 1.880 17.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20796 ATOM 20792 OW SOL 6407 45.450 14.160 12.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20797 ATOM 20793 HW1 SOL 6407 44.960 13.890 11.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20798 ATOM 20794 HW2 SOL 6407 45.310 13.470 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20799 ATOM 20795 OW SOL 6408 48.540 6.740 14.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20800 ATOM 20796 HW1 SOL 6408 49.140 7.290 14.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20801 ATOM 20797 HW2 SOL 6408 48.780 6.870 13.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20802 ATOM 20798 OW SOL 6409 44.480 13.160 9.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20803 ATOM 20799 HW1 SOL 6409 45.360 12.800 8.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20804 ATOM 20800 HW2 SOL 6409 43.890 13.340 8.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20805 ATOM 20801 OW SOL 6410 46.120 5.120 7.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20806 ATOM 20802 HW1 SOL 6410 46.100 4.790 6.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20807 ATOM 20803 HW2 SOL 6410 45.470 4.590 8.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20808 ATOM 20804 OW SOL 6411 41.740 1.090 3.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20809 ATOM 20805 HW1 SOL 6411 41.290 1.750 3.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20810 ATOM 20806 HW2 SOL 6411 41.040 0.580 2.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20811 ATOM 20807 OW SOL 6412 48.700 10.590 71.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20812 ATOM 20808 HW1 SOL 6412 48.070 9.820 71.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20813 ATOM 20809 HW2 SOL 6412 48.480 11.290 72.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20814 ATOM 20810 OW SOL 6413 39.580 72.090 1.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20815 ATOM 20811 HW1 SOL 6413 39.940 72.780 1.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20816 ATOM 20812 HW2 SOL 6413 39.950 71.190 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20817 ATOM 20813 OW SOL 6414 45.730 1.120 2.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20818 ATOM 20814 HW1 SOL 6414 45.170 1.940 2.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20819 ATOM 20815 HW2 SOL 6414 46.260 0.940 3.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20820 ATOM 20816 OW SOL 6415 47.600 5.310 11.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20821 ATOM 20817 HW1 SOL 6415 48.090 4.450 11.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20822 ATOM 20818 HW2 SOL 6415 48.260 6.050 11.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20823 ATOM 20819 OW SOL 6416 48.640 15.500 7.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20824 ATOM 20820 HW1 SOL 6416 49.280 16.190 6.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20825 ATOM 20821 HW2 SOL 6416 48.880 15.230 7.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20826 ATOM 20822 OW SOL 6417 41.230 10.600 7.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20827 ATOM 20823 HW1 SOL 6417 40.630 10.510 8.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20828 ATOM 20824 HW2 SOL 6417 40.740 10.310 6.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20829 ATOM 20825 OW SOL 6418 49.950 18.130 6.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20830 ATOM 20826 HW1 SOL 6418 50.270 18.590 5.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20831 ATOM 20827 HW2 SOL 6418 49.090 18.550 6.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20832 ATOM 20828 OW SOL 6419 45.570 4.400 72.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20833 ATOM 20829 HW1 SOL 6419 45.470 4.800 71.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20834 ATOM 20830 HW2 SOL 6419 46.290 4.870 72.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20835 ATOM 20831 OW SOL 6420 37.080 4.860 14.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20836 ATOM 20832 HW1 SOL 6420 37.090 5.080 13.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20837 ATOM 20833 HW2 SOL 6420 37.930 5.180 14.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20838 ATOM 20834 OW SOL 6421 42.450 1.430 8.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20839 ATOM 20835 HW1 SOL 6421 42.610 0.450 8.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20840 ATOM 20836 HW2 SOL 6421 41.800 1.540 9.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20841 ATOM 20837 OW SOL 6422 45.550 3.620 5.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20842 ATOM 20838 HW1 SOL 6422 44.920 3.630 4.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20843 ATOM 20839 HW2 SOL 6422 45.340 2.840 5.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20844 ATOM 20840 OW SOL 6423 44.740 1.070 6.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20845 ATOM 20841 HW1 SOL 6423 43.860 1.480 6.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20846 ATOM 20842 HW2 SOL 6423 44.600 0.190 7.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20847 ATOM 20843 OW SOL 6424 50.280 11.330 6.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20848 ATOM 20844 HW1 SOL 6424 49.440 10.820 6.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20849 ATOM 20845 HW2 SOL 6424 50.700 11.630 5.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20850 ATOM 20846 OW SOL 6425 51.420 4.760 6.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20851 ATOM 20847 HW1 SOL 6425 50.520 4.600 7.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20852 ATOM 20848 HW2 SOL 6425 51.950 5.380 7.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20853 ATOM 20849 OW SOL 6426 53.750 7.220 4.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20854 ATOM 20850 HW1 SOL 6426 54.200 6.590 4.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20855 ATOM 20851 HW2 SOL 6426 53.330 7.970 4.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20856 ATOM 20852 OW SOL 6427 41.540 12.380 2.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20857 ATOM 20853 HW1 SOL 6427 40.580 12.500 3.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20858 ATOM 20854 HW2 SOL 6427 41.670 12.590 1.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20859 ATOM 20855 OW SOL 6428 54.370 12.670 6.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20860 ATOM 20856 HW1 SOL 6428 54.460 11.700 6.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20861 ATOM 20857 HW2 SOL 6428 53.760 13.100 7.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20862 ATOM 20858 OW SOL 6429 50.720 4.110 71.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20863 ATOM 20859 HW1 SOL 6429 50.150 4.090 71.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20864 ATOM 20860 HW2 SOL 6429 50.950 3.170 70.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20865 ATOM 20861 OW SOL 6430 41.120 1.160 0.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20866 ATOM 20862 HW1 SOL 6430 41.950 0.780 0.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20867 ATOM 20863 HW2 SOL 6430 40.860 1.990 -0.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20868 ATOM 20864 OW SOL 6431 53.140 12.000 15.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20869 ATOM 20865 HW1 SOL 6431 54.020 11.550 15.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20870 ATOM 20866 HW2 SOL 6431 53.260 12.670 16.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20871 ATOM 20867 OW SOL 6432 45.570 9.740 13.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20872 ATOM 20868 HW1 SOL 6432 45.340 10.560 13.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20873 ATOM 20869 HW2 SOL 6432 45.890 9.030 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20874 ATOM 20870 OW SOL 6433 53.150 16.980 17.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20875 ATOM 20871 HW1 SOL 6433 53.180 17.560 16.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20876 ATOM 20872 HW2 SOL 6433 53.540 16.080 16.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20877 ATOM 20873 OW SOL 6434 47.170 11.110 11.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20878 ATOM 20874 HW1 SOL 6434 46.530 10.690 12.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20879 ATOM 20875 HW2 SOL 6434 46.660 11.650 11.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20880 ATOM 20876 OW SOL 6435 51.620 9.810 11.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20881 ATOM 20877 HW1 SOL 6435 51.790 10.780 12.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20882 ATOM 20878 HW2 SOL 6435 50.710 9.700 11.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20883 ATOM 20879 OW SOL 6436 45.900 0.420 13.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20884 ATOM 20880 HW1 SOL 6436 46.310 0.000 12.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20885 ATOM 20881 HW2 SOL 6436 46.620 0.810 14.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20886 ATOM 20882 OW SOL 6437 46.090 10.180 16.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20887 ATOM 20883 HW1 SOL 6437 45.850 11.120 16.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20888 ATOM 20884 HW2 SOL 6437 46.100 9.620 15.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20889 ATOM 20885 OW SOL 6438 44.970 10.160 4.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20890 ATOM 20886 HW1 SOL 6438 44.770 10.020 5.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20891 ATOM 20887 HW2 SOL 6438 45.540 9.410 3.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20892 ATOM 20888 OW SOL 6439 40.920 7.800 12.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20893 ATOM 20889 HW1 SOL 6439 41.770 7.600 13.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20894 ATOM 20890 HW2 SOL 6439 40.380 6.970 12.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20895 ATOM 20891 OW SOL 6440 51.790 3.640 10.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20896 ATOM 20892 HW1 SOL 6440 52.290 3.040 10.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20897 ATOM 20893 HW2 SOL 6440 50.810 3.420 10.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20898 ATOM 20894 OW SOL 6441 38.430 15.890 13.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20899 ATOM 20895 HW1 SOL 6441 38.240 16.380 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20900 ATOM 20896 HW2 SOL 6441 39.410 15.920 13.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20901 ATOM 20897 OW SOL 6442 39.280 10.810 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20902 ATOM 20898 HW1 SOL 6442 39.160 11.630 4.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20903 ATOM 20899 HW2 SOL 6442 39.070 10.000 4.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20904 ATOM 20900 OW SOL 6443 42.270 5.590 7.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20905 ATOM 20901 HW1 SOL 6443 42.000 6.360 6.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20906 ATOM 20902 HW2 SOL 6443 42.590 5.930 8.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20907 ATOM 20903 OW SOL 6444 47.600 13.410 5.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20908 ATOM 20904 HW1 SOL 6444 47.340 12.570 6.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20909 ATOM 20905 HW2 SOL 6444 47.930 14.080 6.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20910 ATOM 20906 OW SOL 6445 49.260 13.020 11.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20911 ATOM 20907 HW1 SOL 6445 49.470 13.510 12.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20912 ATOM 20908 HW2 SOL 6445 48.450 12.460 11.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20913 ATOM 20909 OW SOL 6446 49.050 5.200 3.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20914 ATOM 20910 HW1 SOL 6446 49.030 4.210 3.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20915 ATOM 20911 HW2 SOL 6446 50.000 5.490 3.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20916 ATOM 20912 OW SOL 6447 41.170 16.360 13.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20917 ATOM 20913 HW1 SOL 6447 41.010 15.680 12.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20918 ATOM 20914 HW2 SOL 6447 42.150 16.460 13.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20919 ATOM 20915 OW SOL 6448 42.000 8.030 17.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20920 ATOM 20916 HW1 SOL 6448 42.140 7.590 16.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20921 ATOM 20917 HW2 SOL 6448 41.500 7.420 17.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20922 ATOM 20918 OW SOL 6449 52.740 6.310 14.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20923 ATOM 20919 HW1 SOL 6449 51.990 6.430 15.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20924 ATOM 20920 HW2 SOL 6449 53.090 7.210 14.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20925 ATOM 20921 OW SOL 6450 48.230 0.850 19.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20926 ATOM 20922 HW1 SOL 6450 48.220 1.660 19.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20927 ATOM 20923 HW2 SOL 6450 48.970 0.910 20.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20928 ATOM 20924 OW SOL 6451 41.420 0.590 16.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20929 ATOM 20925 HW1 SOL 6451 41.150 -0.370 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20930 ATOM 20926 HW2 SOL 6451 40.650 1.170 15.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20931 ATOM 20927 OW SOL 6452 42.240 8.630 10.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20932 ATOM 20928 HW1 SOL 6452 42.880 9.380 10.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20933 ATOM 20929 HW2 SOL 6452 41.780 8.390 11.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20934 ATOM 20930 OW SOL 6453 49.120 8.120 8.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20935 ATOM 20931 HW1 SOL 6453 48.130 8.050 8.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20936 ATOM 20932 HW2 SOL 6453 49.380 7.710 7.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20937 ATOM 20933 OW SOL 6454 49.030 4.070 0.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20938 ATOM 20934 HW1 SOL 6454 49.010 3.070 0.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20939 ATOM 20935 HW2 SOL 6454 48.980 4.370 1.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20940 ATOM 20936 OW SOL 6455 40.150 2.060 10.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20941 ATOM 20937 HW1 SOL 6455 40.350 2.190 11.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20942 ATOM 20938 HW2 SOL 6455 39.300 1.540 10.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20943 ATOM 20939 OW SOL 6456 37.350 13.670 12.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20944 ATOM 20940 HW1 SOL 6456 36.370 13.830 12.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20945 ATOM 20941 HW2 SOL 6456 37.810 14.470 13.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20946 ATOM 20942 OW SOL 6457 43.200 6.260 9.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20947 ATOM 20943 HW1 SOL 6457 43.860 6.030 10.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20948 ATOM 20944 HW2 SOL 6457 42.880 7.200 9.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20949 ATOM 20945 OW SOL 6458 55.790 9.370 17.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20950 ATOM 20946 HW1 SOL 6458 55.710 8.410 17.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20951 ATOM 20947 HW2 SOL 6458 55.000 9.640 18.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20952 ATOM 20948 OW SOL 6459 40.470 2.690 5.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20953 ATOM 20949 HW1 SOL 6459 39.580 2.600 5.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20954 ATOM 20950 HW2 SOL 6459 41.190 2.740 5.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20955 ATOM 20951 OW SOL 6460 52.580 3.090 2.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20956 ATOM 20952 HW1 SOL 6460 53.130 2.690 2.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20957 ATOM 20953 HW2 SOL 6460 52.420 4.060 2.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20958 ATOM 20954 OW SOL 6461 46.690 7.020 9.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20959 ATOM 20955 HW1 SOL 6461 46.870 6.350 10.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20960 ATOM 20956 HW2 SOL 6461 46.180 6.600 8.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20961 ATOM 20957 OW SOL 6462 46.540 15.530 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20962 ATOM 20958 HW1 SOL 6462 45.670 15.370 18.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20963 ATOM 20959 HW2 SOL 6462 47.210 15.880 18.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20964 ATOM 20960 OW SOL 6463 54.410 14.880 16.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20965 ATOM 20961 HW1 SOL 6463 54.900 14.850 15.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20966 ATOM 20962 HW2 SOL 6463 54.950 14.410 16.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20967 ATOM 20963 OW SOL 6464 39.550 8.910 18.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20968 ATOM 20964 HW1 SOL 6464 39.170 8.090 18.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20969 ATOM 20965 HW2 SOL 6464 40.060 8.630 17.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20970 ATOM 20966 OW SOL 6465 51.590 1.600 71.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20971 ATOM 20967 HW1 SOL 6465 50.790 1.020 72.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20972 ATOM 20968 HW2 SOL 6465 52.170 1.630 72.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20973 ATOM 20969 OW SOL 6466 48.420 5.930 71.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20974 ATOM 20970 HW1 SOL 6466 48.400 5.260 72.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20975 ATOM 20971 HW2 SOL 6466 49.100 5.640 70.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20976 ATOM 20972 OW SOL 6467 47.180 12.520 8.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20977 ATOM 20973 HW1 SOL 6467 47.460 11.610 8.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20978 ATOM 20974 HW2 SOL 6467 47.980 13.130 8.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20979 ATOM 20975 OW SOL 6468 40.120 7.790 8.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20980 ATOM 20976 HW1 SOL 6468 40.440 7.770 7.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20981 ATOM 20977 HW2 SOL 6468 40.800 8.250 9.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20982 ATOM 20978 OW SOL 6469 39.210 4.440 9.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20983 ATOM 20979 HW1 SOL 6469 39.600 3.580 9.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20984 ATOM 20980 HW2 SOL 6469 39.900 4.960 9.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20985 ATOM 20981 OW SOL 6470 47.640 4.360 15.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20986 ATOM 20982 HW1 SOL 6470 46.660 4.460 15.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20987 ATOM 20983 HW2 SOL 6470 48.000 5.170 15.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20988 ATOM 20984 OW SOL 6471 47.670 1.700 15.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20989 ATOM 20985 HW1 SOL 6471 47.660 2.680 15.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20990 ATOM 20986 HW2 SOL 6471 47.610 1.190 15.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20991 ATOM 20987 OW SOL 6472 36.990 12.150 1.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20992 ATOM 20988 HW1 SOL 6472 36.080 12.540 1.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20993 ATOM 20989 HW2 SOL 6472 36.910 11.330 1.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20994 ATOM 20990 OW SOL 6473 37.920 17.470 8.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20995 ATOM 20991 HW1 SOL 6473 37.860 16.570 7.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20996 ATOM 20992 HW2 SOL 6473 38.540 18.050 7.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20997 ATOM 20993 OW SOL 6474 42.130 15.000 9.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20998 ATOM 20994 HW1 SOL 6474 43.030 15.380 9.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
20999 ATOM 20995 HW2 SOL 6474 42.220 14.290 8.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21000 ATOM 20996 OW SOL 6475 44.860 5.330 11.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21001 ATOM 20997 HW1 SOL 6475 45.850 5.340 11.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21002 ATOM 20998 HW2 SOL 6475 44.600 4.570 12.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21003 ATOM 20999 OW SOL 6476 37.020 5.090 10.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21004 ATOM 21000 HW1 SOL 6476 37.800 4.800 10.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21005 ATOM 21001 HW2 SOL 6476 36.570 4.300 11.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21006 ATOM 21002 OW SOL 6477 39.230 5.280 16.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21007 ATOM 21003 HW1 SOL 6477 39.840 5.400 16.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21008 ATOM 21004 HW2 SOL 6477 38.940 6.170 15.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21009 ATOM 21005 OW SOL 6478 50.510 9.250 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21010 ATOM 21006 HW1 SOL 6478 50.950 9.860 15.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21011 ATOM 21007 HW2 SOL 6478 51.110 9.100 14.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21012 ATOM 21008 OW SOL 6479 43.730 2.950 3.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21013 ATOM 21009 HW1 SOL 6479 43.060 2.250 3.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21014 ATOM 21010 HW2 SOL 6479 43.290 3.630 2.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21015 ATOM 21011 OW SOL 6480 51.880 6.290 10.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21016 ATOM 21012 HW1 SOL 6480 52.040 5.380 10.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21017 ATOM 21013 HW2 SOL 6480 51.800 6.960 9.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21018 ATOM 21014 OW SOL 6481 40.930 14.890 16.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21019 ATOM 21015 HW1 SOL 6481 41.490 15.670 16.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21020 ATOM 21016 HW2 SOL 6481 40.070 14.890 16.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21021 ATOM 21017 OW SOL 6482 44.250 3.640 9.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21022 ATOM 21018 HW1 SOL 6482 43.670 2.880 8.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21023 ATOM 21019 HW2 SOL 6482 43.680 4.300 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21024 ATOM 21020 OW SOL 6483 46.090 15.130 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21025 ATOM 21021 HW1 SOL 6483 46.670 14.320 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21026 ATOM 21022 HW2 SOL 6483 46.650 15.900 15.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21027 ATOM 21023 OW SOL 6484 41.080 4.040 72.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21028 ATOM 21024 HW1 SOL 6484 41.780 4.170 72.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21029 ATOM 21025 HW2 SOL 6484 40.180 4.170 72.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21030 ATOM 21026 OW SOL 6485 38.550 10.520 14.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21031 ATOM 21027 HW1 SOL 6485 39.130 11.280 15.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21032 ATOM 21028 HW2 SOL 6485 38.160 10.710 13.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21033 ATOM 21029 OW SOL 6486 49.000 9.320 10.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21034 ATOM 21030 HW1 SOL 6486 48.870 8.980 9.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21035 ATOM 21031 HW2 SOL 6486 48.210 9.880 10.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21036 ATOM 21032 OW SOL 6487 50.070 8.090 3.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21037 ATOM 21033 HW1 SOL 6487 50.590 8.860 2.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21038 ATOM 21034 HW2 SOL 6487 49.100 8.210 3.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21039 ATOM 21035 OW SOL 6488 53.650 15.100 11.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21040 ATOM 21036 HW1 SOL 6488 53.620 15.850 11.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21041 ATOM 21037 HW2 SOL 6488 53.960 14.260 11.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21042 ATOM 21038 OW SOL 6489 49.650 14.790 9.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21043 ATOM 21039 HW1 SOL 6489 50.260 15.530 9.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21044 ATOM 21040 HW2 SOL 6489 49.720 14.030 10.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21045 ATOM 21041 OW SOL 6490 37.610 11.110 11.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21046 ATOM 21042 HW1 SOL 6490 37.460 11.940 12.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21047 ATOM 21043 HW2 SOL 6490 36.820 10.960 11.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21048 ATOM 21044 OW SOL 6491 43.880 15.270 17.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21049 ATOM 21045 HW1 SOL 6491 43.230 16.030 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21050 ATOM 21046 HW2 SOL 6491 44.550 15.470 16.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21051 ATOM 21047 OW SOL 6492 46.370 1.130 69.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21052 ATOM 21048 HW1 SOL 6492 45.730 0.750 68.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21053 ATOM 21049 HW2 SOL 6492 46.010 0.980 70.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21054 ATOM 21050 OW SOL 6493 56.850 3.250 2.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21055 ATOM 21051 HW1 SOL 6493 57.820 3.010 2.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21056 ATOM 21052 HW2 SOL 6493 56.570 3.780 1.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21057 ATOM 21053 OW SOL 6494 51.840 16.350 6.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21058 ATOM 21054 HW1 SOL 6494 51.700 15.840 5.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21059 ATOM 21055 HW2 SOL 6494 51.170 17.100 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21060 ATOM 21056 OW SOL 6495 37.640 17.290 18.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21061 ATOM 21057 HW1 SOL 6495 37.980 16.980 19.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21062 ATOM 21058 HW2 SOL 6495 36.680 17.030 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21063 ATOM 21059 OW SOL 6496 47.540 8.510 5.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21064 ATOM 21060 HW1 SOL 6496 48.460 8.190 5.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21065 ATOM 21061 HW2 SOL 6496 46.870 7.850 5.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21066 ATOM 21062 OW SOL 6497 44.700 12.340 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21067 ATOM 21063 HW1 SOL 6497 44.710 12.520 15.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21068 ATOM 21064 HW2 SOL 6497 43.780 12.530 13.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21069 ATOM 21065 OW SOL 6498 43.640 15.130 72.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21070 ATOM 21066 HW1 SOL 6498 44.300 15.790 72.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21071 ATOM 21067 HW2 SOL 6498 42.760 15.270 72.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21072 ATOM 21068 OW SOL 6499 51.690 16.290 13.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21073 ATOM 21069 HW1 SOL 6499 52.120 15.530 12.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21074 ATOM 21070 HW2 SOL 6499 52.390 16.890 13.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21075 ATOM 21071 OW SOL 6500 53.750 0.190 5.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21076 ATOM 21072 HW1 SOL 6500 53.280 -0.510 5.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21077 ATOM 21073 HW2 SOL 6500 53.180 1.010 5.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21078 ATOM 21074 OW SOL 6501 37.950 1.750 5.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21079 ATOM 21075 HW1 SOL 6501 37.490 2.640 6.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21080 ATOM 21076 HW2 SOL 6501 37.580 1.120 6.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21081 ATOM 21077 OW SOL 6502 50.490 14.380 0.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21082 ATOM 21078 HW1 SOL 6502 49.790 13.670 0.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21083 ATOM 21079 HW2 SOL 6502 50.510 14.770 -0.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21084 ATOM 21080 OW SOL 6503 43.990 7.660 12.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21085 ATOM 21081 HW1 SOL 6503 44.320 6.840 12.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21086 ATOM 21082 HW2 SOL 6503 44.550 8.450 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21087 ATOM 21083 OW SOL 6504 47.520 9.500 1.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21088 ATOM 21084 HW1 SOL 6504 47.740 10.460 1.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21089 ATOM 21085 HW2 SOL 6504 47.500 8.990 1.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21090 ATOM 21086 OW SOL 6505 52.630 15.460 1.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21091 ATOM 21087 HW1 SOL 6505 51.860 14.970 1.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21092 ATOM 21088 HW2 SOL 6505 53.480 14.970 1.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21093 ATOM 21089 OW SOL 6506 40.500 12.440 15.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21094 ATOM 21090 HW1 SOL 6506 40.470 13.400 15.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21095 ATOM 21091 HW2 SOL 6506 40.980 12.350 14.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21096 ATOM 21092 OW SOL 6507 51.860 12.250 12.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21097 ATOM 21093 HW1 SOL 6507 52.470 12.310 13.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21098 ATOM 21094 HW2 SOL 6507 51.050 12.820 13.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21099 ATOM 21095 OW SOL 6508 46.760 10.730 6.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21100 ATOM 21096 HW1 SOL 6508 45.810 10.580 7.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21101 ATOM 21097 HW2 SOL 6508 47.080 9.950 6.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21102 ATOM 21098 OW SOL 6509 46.780 2.430 10.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21103 ATOM 21099 HW1 SOL 6509 46.380 1.690 10.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21104 ATOM 21100 HW2 SOL 6509 46.040 2.910 9.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21105 ATOM 21101 OW SOL 6510 42.830 13.810 4.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21106 ATOM 21102 HW1 SOL 6510 43.740 13.460 4.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21107 ATOM 21103 HW2 SOL 6510 42.200 13.620 3.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21108 ATOM 21104 OW SOL 6511 53.500 2.660 12.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21109 ATOM 21105 HW1 SOL 6511 54.070 3.470 12.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21110 ATOM 21106 HW2 SOL 6511 54.030 1.930 12.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21111 ATOM 21107 OW SOL 6512 38.710 13.000 3.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21112 ATOM 21108 HW1 SOL 6512 38.230 12.610 2.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21113 ATOM 21109 HW2 SOL 6512 39.110 13.880 2.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21114 ATOM 21110 OW SOL 6513 38.660 11.530 17.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21115 ATOM 21111 HW1 SOL 6513 37.890 11.610 18.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21116 ATOM 21112 HW2 SOL 6513 38.940 10.580 17.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21117 ATOM 21113 OW SOL 6514 43.420 1.280 14.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21118 ATOM 21114 HW1 SOL 6514 44.390 1.090 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21119 ATOM 21115 HW2 SOL 6514 43.090 0.990 14.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21120 ATOM 21116 OW SOL 6515 35.880 3.150 72.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21121 ATOM 21117 HW1 SOL 6515 36.330 2.270 72.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21122 ATOM 21118 HW2 SOL 6515 35.240 3.270 71.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21123 ATOM 21119 OW SOL 6516 49.750 7.100 11.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21124 ATOM 21120 HW1 SOL 6516 49.660 7.910 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21125 ATOM 21121 HW2 SOL 6516 50.690 6.750 11.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21126 ATOM 21122 OW SOL 6517 34.790 4.840 3.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21127 ATOM 21123 HW1 SOL 6517 34.230 5.530 3.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21128 ATOM 21124 HW2 SOL 6517 35.280 4.290 3.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21129 ATOM 21125 OW SOL 6518 47.890 12.470 1.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21130 ATOM 21126 HW1 SOL 6518 46.900 12.540 0.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21131 ATOM 21127 HW2 SOL 6518 48.110 12.830 2.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21132 ATOM 21128 OW SOL 6519 42.670 6.770 15.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21133 ATOM 21129 HW1 SOL 6519 43.310 6.990 14.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21134 ATOM 21130 HW2 SOL 6519 42.640 5.780 15.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21135 ATOM 21131 OW SOL 6520 51.350 16.780 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21136 ATOM 21132 HW1 SOL 6520 51.520 17.760 10.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21137 ATOM 21133 HW2 SOL 6520 51.170 16.570 11.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21138 ATOM 21134 OW SOL 6521 45.070 4.670 16.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21139 ATOM 21135 HW1 SOL 6521 44.770 5.370 17.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21140 ATOM 21136 HW2 SOL 6521 45.130 3.790 16.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21141 ATOM 21137 OW SOL 6522 51.250 10.880 16.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21142 ATOM 21138 HW1 SOL 6522 51.340 11.230 17.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21143 ATOM 21139 HW2 SOL 6522 51.960 11.280 16.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21144 ATOM 21140 OW SOL 6523 41.550 18.340 15.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21145 ATOM 21141 HW1 SOL 6523 40.990 19.100 15.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21146 ATOM 21142 HW2 SOL 6523 41.050 17.820 14.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21147 ATOM 21143 OW SOL 6524 54.130 7.050 12.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21148 ATOM 21144 HW1 SOL 6524 54.580 6.270 12.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21149 ATOM 21145 HW2 SOL 6524 53.160 6.840 11.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21150 ATOM 21146 OW SOL 6525 49.420 2.010 2.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21151 ATOM 21147 HW1 SOL 6525 50.280 1.540 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21152 ATOM 21148 HW2 SOL 6525 49.080 2.470 3.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21153 ATOM 21149 OW SOL 6526 41.130 7.570 6.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21154 ATOM 21150 HW1 SOL 6526 41.380 8.300 5.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21155 ATOM 21151 HW2 SOL 6526 40.390 7.020 5.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21156 ATOM 21152 OW SOL 6527 50.920 1.770 13.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21157 ATOM 21153 HW1 SOL 6527 51.780 2.180 13.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21158 ATOM 21154 HW2 SOL 6527 50.460 2.400 14.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21159 ATOM 21155 OW SOL 6528 53.440 8.990 14.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21160 ATOM 21156 HW1 SOL 6528 54.050 9.700 14.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21161 ATOM 21157 HW2 SOL 6528 53.050 9.300 13.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21162 ATOM 21158 OW SOL 6529 45.360 12.180 1.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21163 ATOM 21159 HW1 SOL 6529 45.080 12.660 2.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21164 ATOM 21160 HW2 SOL 6529 44.600 12.170 0.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21165 ATOM 21161 OW SOL 6530 44.490 16.280 9.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21166 ATOM 21162 HW1 SOL 6530 44.340 17.260 9.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21167 ATOM 21163 HW2 SOL 6530 45.070 16.100 9.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21168 ATOM 21164 OW SOL 6531 45.630 9.590 9.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21169 ATOM 21165 HW1 SOL 6531 45.980 8.720 9.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21170 ATOM 21166 HW2 SOL 6531 45.060 10.030 9.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21171 ATOM 21167 OW SOL 6532 47.430 8.330 71.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21172 ATOM 21168 HW1 SOL 6532 46.470 8.340 71.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21173 ATOM 21169 HW2 SOL 6532 47.810 7.420 71.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21174 ATOM 21170 OW SOL 6533 55.640 15.280 9.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21175 ATOM 21171 HW1 SOL 6533 54.800 14.820 8.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21176 ATOM 21172 HW2 SOL 6533 56.260 14.610 9.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21177 ATOM 21173 OW SOL 6534 38.770 14.210 17.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21178 ATOM 21174 HW1 SOL 6534 38.830 13.220 17.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21179 ATOM 21175 HW2 SOL 6534 38.520 14.660 18.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21180 ATOM 21176 OW SOL 6535 38.680 12.400 7.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21181 ATOM 21177 HW1 SOL 6535 39.130 12.350 8.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21182 ATOM 21178 HW2 SOL 6535 38.870 11.560 6.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21183 ATOM 21179 OW SOL 6536 44.390 12.600 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21184 ATOM 21180 HW1 SOL 6536 43.510 12.150 16.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21185 ATOM 21181 HW2 SOL 6536 44.400 13.470 17.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21186 ATOM 21182 OW SOL 6537 54.340 0.360 11.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21187 ATOM 21183 HW1 SOL 6537 55.100 -0.050 10.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21188 ATOM 21184 HW2 SOL 6537 53.480 0.160 10.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21189 ATOM 21185 OW SOL 6538 39.020 4.710 3.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21190 ATOM 21186 HW1 SOL 6538 39.730 4.200 3.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21191 ATOM 21187 HW2 SOL 6538 39.030 4.470 2.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21192 ATOM 21188 OW SOL 6539 53.370 12.450 10.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21193 ATOM 21189 HW1 SOL 6539 52.800 12.510 9.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21194 ATOM 21190 HW2 SOL 6539 52.800 12.230 11.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21195 ATOM 21191 OW SOL 6540 39.870 5.060 12.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21196 ATOM 21192 HW1 SOL 6540 40.290 4.230 12.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21197 ATOM 21193 HW2 SOL 6540 39.750 4.980 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21198 ATOM 21194 OW SOL 6541 44.400 15.980 5.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21199 ATOM 21195 HW1 SOL 6541 44.110 16.680 4.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21200 ATOM 21196 HW2 SOL 6541 43.750 15.220 5.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21201 ATOM 21197 OW SOL 6542 48.760 2.500 7.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21202 ATOM 21198 HW1 SOL 6542 48.730 2.960 8.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21203 ATOM 21199 HW2 SOL 6542 49.620 1.990 7.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21204 ATOM 21200 OW SOL 6543 47.050 71.990 11.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21205 ATOM 21201 HW1 SOL 6543 46.970 71.240 10.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21206 ATOM 21202 HW2 SOL 6543 48.010 72.130 11.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21207 ATOM 21203 OW SOL 6544 45.230 12.830 4.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21208 ATOM 21204 HW1 SOL 6544 45.180 11.840 4.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21209 ATOM 21205 HW2 SOL 6544 45.800 13.060 4.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21210 ATOM 21206 OW SOL 6545 44.070 15.920 13.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21211 ATOM 21207 HW1 SOL 6545 44.650 15.610 12.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21212 ATOM 21208 HW2 SOL 6545 44.270 15.370 14.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21213 ATOM 21209 OW SOL 6546 52.070 70.310 72.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21214 ATOM 21210 HW1 SOL 6546 52.690 70.270 73.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21215 ATOM 21211 HW2 SOL 6546 51.160 69.980 72.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21216 ATOM 21212 OW SOL 6547 48.370 3.180 5.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21217 ATOM 21213 HW1 SOL 6547 47.480 3.620 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21218 ATOM 21214 HW2 SOL 6547 48.630 3.180 6.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21219 ATOM 21215 OW SOL 6548 51.250 1.380 7.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21220 ATOM 21216 HW1 SOL 6548 51.760 1.680 6.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21221 ATOM 21217 HW2 SOL 6548 50.630 0.640 7.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21222 ATOM 21218 OW SOL 6549 36.780 9.950 2.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21223 ATOM 21219 HW1 SOL 6549 37.700 9.630 2.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21224 ATOM 21220 HW2 SOL 6549 36.430 9.470 3.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21225 ATOM 21221 OW SOL 6550 44.560 17.090 1.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21226 ATOM 21222 HW1 SOL 6550 45.460 17.450 1.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21227 ATOM 21223 HW2 SOL 6550 44.210 17.550 2.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21228 ATOM 21224 OW SOL 6551 37.980 6.760 19.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21229 ATOM 21225 HW1 SOL 6551 37.800 6.910 20.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21230 ATOM 21226 HW2 SOL 6551 37.120 6.620 18.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21231 ATOM 21227 OW SOL 6552 39.560 3.680 26.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21232 ATOM 21228 HW1 SOL 6552 40.410 3.290 26.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21233 ATOM 21229 HW2 SOL 6552 38.860 2.970 26.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21234 ATOM 21230 OW SOL 6553 35.910 4.480 23.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21235 ATOM 21231 HW1 SOL 6553 36.160 4.830 24.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21236 ATOM 21232 HW2 SOL 6553 35.070 4.930 22.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21237 ATOM 21233 OW SOL 6554 43.500 15.310 29.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21238 ATOM 21234 HW1 SOL 6554 42.580 15.380 29.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21239 ATOM 21235 HW2 SOL 6554 44.150 15.700 28.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21240 ATOM 21236 OW SOL 6555 53.250 15.150 25.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21241 ATOM 21237 HW1 SOL 6555 52.520 14.950 25.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21242 ATOM 21238 HW2 SOL 6555 52.950 15.850 24.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21243 ATOM 21239 OW SOL 6556 46.830 7.310 23.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21244 ATOM 21240 HW1 SOL 6556 47.040 7.830 24.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21245 ATOM 21241 HW2 SOL 6556 46.240 6.540 24.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21246 ATOM 21242 OW SOL 6557 54.970 5.610 21.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21247 ATOM 21243 HW1 SOL 6557 54.390 5.400 21.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21248 ATOM 21244 HW2 SOL 6557 54.470 5.410 20.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21249 ATOM 21245 OW SOL 6558 43.810 12.410 29.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21250 ATOM 21246 HW1 SOL 6558 43.120 13.120 30.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21251 ATOM 21247 HW2 SOL 6558 44.350 12.620 29.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21252 ATOM 21248 OW SOL 6559 46.530 4.910 36.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21253 ATOM 21249 HW1 SOL 6559 47.180 4.290 37.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21254 ATOM 21250 HW2 SOL 6559 46.090 5.480 37.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21255 ATOM 21251 OW SOL 6560 43.390 9.170 25.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21256 ATOM 21252 HW1 SOL 6560 44.020 9.360 25.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21257 ATOM 21253 HW2 SOL 6560 42.540 9.670 25.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21258 ATOM 21254 OW SOL 6561 42.910 11.900 35.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21259 ATOM 21255 HW1 SOL 6561 43.280 12.810 35.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21260 ATOM 21256 HW2 SOL 6561 42.440 11.550 36.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21261 ATOM 21257 OW SOL 6562 41.420 13.300 28.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21262 ATOM 21258 HW1 SOL 6562 40.440 13.290 28.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21263 ATOM 21259 HW2 SOL 6562 41.550 13.470 27.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21264 ATOM 21260 OW SOL 6563 50.900 14.630 32.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21265 ATOM 21261 HW1 SOL 6563 51.830 14.830 32.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21266 ATOM 21262 HW2 SOL 6563 50.290 14.540 33.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21267 ATOM 21263 OW SOL 6564 42.480 2.970 32.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21268 ATOM 21264 HW1 SOL 6564 42.750 2.270 33.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21269 ATOM 21265 HW2 SOL 6564 42.190 3.790 33.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21270 ATOM 21266 OW SOL 6565 53.680 5.220 25.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21271 ATOM 21267 HW1 SOL 6565 54.650 5.010 25.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21272 ATOM 21268 HW2 SOL 6565 53.550 6.190 25.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21273 ATOM 21269 OW SOL 6566 38.430 15.430 23.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21274 ATOM 21270 HW1 SOL 6566 38.530 16.210 24.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21275 ATOM 21271 HW2 SOL 6566 39.190 15.410 23.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21276 ATOM 21272 OW SOL 6567 46.840 13.860 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21277 ATOM 21273 HW1 SOL 6567 47.460 13.590 37.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21278 ATOM 21274 HW2 SOL 6567 46.380 13.050 36.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21279 ATOM 21275 OW SOL 6568 39.130 13.020 25.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21280 ATOM 21276 HW1 SOL 6568 38.620 13.800 24.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21281 ATOM 21277 HW2 SOL 6568 38.490 12.330 25.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21282 ATOM 21278 OW SOL 6569 40.180 10.400 28.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21283 ATOM 21279 HW1 SOL 6569 40.850 10.050 28.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21284 ATOM 21280 HW2 SOL 6569 39.740 11.220 28.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21285 ATOM 21281 OW SOL 6570 41.660 19.030 32.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21286 ATOM 21282 HW1 SOL 6570 41.100 19.360 32.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21287 ATOM 21283 HW2 SOL 6570 42.520 19.540 32.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21288 ATOM 21284 OW SOL 6571 43.020 9.030 21.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21289 ATOM 21285 HW1 SOL 6571 43.270 9.320 20.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21290 ATOM 21286 HW2 SOL 6571 43.770 9.270 21.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21291 ATOM 21287 OW SOL 6572 52.380 0.160 30.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21292 ATOM 21288 HW1 SOL 6572 51.910 -0.210 30.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21293 ATOM 21289 HW2 SOL 6572 51.980 1.050 31.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21294 ATOM 21290 OW SOL 6573 37.810 6.780 22.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21295 ATOM 21291 HW1 SOL 6573 37.190 6.190 22.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21296 ATOM 21292 HW2 SOL 6573 38.020 7.600 22.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21297 ATOM 21293 OW SOL 6574 55.240 19.110 20.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21298 ATOM 21294 HW1 SOL 6574 55.620 18.610 21.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21299 ATOM 21295 HW2 SOL 6574 55.430 20.080 20.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21300 ATOM 21296 OW SOL 6575 37.290 14.710 20.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21301 ATOM 21297 HW1 SOL 6575 36.430 14.260 19.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21302 ATOM 21298 HW2 SOL 6575 37.110 15.470 20.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21303 ATOM 21299 OW SOL 6576 54.630 10.190 25.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21304 ATOM 21300 HW1 SOL 6576 55.380 9.880 25.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21305 ATOM 21301 HW2 SOL 6576 54.460 11.160 25.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21306 ATOM 21302 OW SOL 6577 54.520 9.570 22.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21307 ATOM 21303 HW1 SOL 6577 55.280 9.280 22.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21308 ATOM 21304 HW2 SOL 6577 53.650 9.260 22.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21309 ATOM 21305 OW SOL 6578 37.690 6.990 33.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21310 ATOM 21306 HW1 SOL 6578 38.450 7.420 33.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21311 ATOM 21307 HW2 SOL 6578 36.920 7.630 33.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21312 ATOM 21308 OW SOL 6579 43.380 12.670 25.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21313 ATOM 21309 HW1 SOL 6579 42.780 11.880 25.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21314 ATOM 21310 HW2 SOL 6579 43.530 12.900 24.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21315 ATOM 21311 OW SOL 6580 48.930 12.170 32.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21316 ATOM 21312 HW1 SOL 6580 48.840 12.350 31.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21317 ATOM 21313 HW2 SOL 6580 48.160 11.600 32.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21318 ATOM 21314 OW SOL 6581 45.810 1.280 25.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21319 ATOM 21315 HW1 SOL 6581 46.330 1.600 24.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21320 ATOM 21316 HW2 SOL 6581 44.840 1.270 25.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21321 ATOM 21317 OW SOL 6582 38.880 12.730 29.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21322 ATOM 21318 HW1 SOL 6582 38.110 12.790 28.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21323 ATOM 21319 HW2 SOL 6582 38.570 12.400 30.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21324 ATOM 21320 OW SOL 6583 53.570 9.260 19.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21325 ATOM 21321 HW1 SOL 6583 52.750 8.960 20.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21326 ATOM 21322 HW2 SOL 6583 54.380 9.120 20.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21327 ATOM 21323 OW SOL 6584 47.250 16.630 35.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21328 ATOM 21324 HW1 SOL 6584 47.690 16.090 34.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21329 ATOM 21325 HW2 SOL 6584 47.480 16.240 36.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21330 ATOM 21326 OW SOL 6585 41.280 4.660 34.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21331 ATOM 21327 HW1 SOL 6585 41.650 5.460 35.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21332 ATOM 21328 HW2 SOL 6585 40.320 4.550 35.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21333 ATOM 21329 OW SOL 6586 51.420 14.840 27.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21334 ATOM 21330 HW1 SOL 6586 50.730 15.570 27.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21335 ATOM 21331 HW2 SOL 6586 50.980 13.980 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21336 ATOM 21332 OW SOL 6587 53.530 19.930 23.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21337 ATOM 21333 HW1 SOL 6587 53.280 19.070 23.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21338 ATOM 21334 HW2 SOL 6587 54.000 19.750 24.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21339 ATOM 21335 OW SOL 6588 41.940 6.350 20.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21340 ATOM 21336 HW1 SOL 6588 42.190 7.310 20.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21341 ATOM 21337 HW2 SOL 6588 41.650 6.060 21.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21342 ATOM 21338 OW SOL 6589 49.500 5.020 26.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21343 ATOM 21339 HW1 SOL 6589 48.590 5.250 26.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21344 ATOM 21340 HW2 SOL 6589 49.980 4.450 26.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21345 ATOM 21341 OW SOL 6590 52.780 18.020 21.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21346 ATOM 21342 HW1 SOL 6590 53.680 18.340 20.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21347 ATOM 21343 HW2 SOL 6590 52.500 17.230 20.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21348 ATOM 21344 OW SOL 6591 44.190 6.160 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21349 ATOM 21345 HW1 SOL 6591 44.480 5.490 33.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21350 ATOM 21346 HW2 SOL 6591 43.810 5.680 32.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21351 ATOM 21347 OW SOL 6592 49.760 2.910 33.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21352 ATOM 21348 HW1 SOL 6592 49.020 3.500 33.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21353 ATOM 21349 HW2 SOL 6592 50.060 2.320 34.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21354 ATOM 21350 OW SOL 6593 46.650 10.570 33.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21355 ATOM 21351 HW1 SOL 6593 46.630 9.640 32.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21356 ATOM 21352 HW2 SOL 6593 45.780 11.020 33.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21357 ATOM 21353 OW SOL 6594 46.910 5.700 29.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21358 ATOM 21354 HW1 SOL 6594 47.560 5.960 30.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21359 ATOM 21355 HW2 SOL 6594 47.310 4.980 29.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21360 ATOM 21356 OW SOL 6595 46.840 6.750 21.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21361 ATOM 21357 HW1 SOL 6595 46.980 6.770 22.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21362 ATOM 21358 HW2 SOL 6595 45.890 6.500 21.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21363 ATOM 21359 OW SOL 6596 37.950 8.890 24.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21364 ATOM 21360 HW1 SOL 6596 38.320 8.560 25.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21365 ATOM 21361 HW2 SOL 6596 38.530 9.610 23.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21366 ATOM 21362 OW SOL 6597 45.290 2.210 20.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21367 ATOM 21363 HW1 SOL 6597 45.570 2.390 19.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21368 ATOM 21364 HW2 SOL 6597 44.540 1.550 20.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21369 ATOM 21365 OW SOL 6598 52.810 6.400 35.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21370 ATOM 21366 HW1 SOL 6598 53.370 6.980 35.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21371 ATOM 21367 HW2 SOL 6598 52.720 5.500 35.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21372 ATOM 21368 OW SOL 6599 52.090 11.940 23.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21373 ATOM 21369 HW1 SOL 6599 53.060 12.170 23.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21374 ATOM 21370 HW2 SOL 6599 51.600 12.600 23.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21375 ATOM 21371 OW SOL 6600 41.940 1.870 26.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21376 ATOM 21372 HW1 SOL 6600 42.490 1.970 27.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21377 ATOM 21373 HW2 SOL 6600 42.500 2.070 25.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21378 ATOM 21374 OW SOL 6601 47.850 14.020 23.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21379 ATOM 21375 HW1 SOL 6601 47.500 13.800 22.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21380 ATOM 21376 HW2 SOL 6601 47.170 14.560 24.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21381 ATOM 21377 OW SOL 6602 40.550 16.260 27.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21382 ATOM 21378 HW1 SOL 6602 40.640 15.800 26.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21383 ATOM 21379 HW2 SOL 6602 41.120 17.080 27.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21384 ATOM 21380 OW SOL 6603 54.290 9.470 28.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21385 ATOM 21381 HW1 SOL 6603 54.520 10.000 27.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21386 ATOM 21382 HW2 SOL 6603 53.780 10.040 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21387 ATOM 21383 OW SOL 6604 48.360 14.360 34.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21388 ATOM 21384 HW1 SOL 6604 47.890 14.090 35.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21389 ATOM 21385 HW2 SOL 6604 48.520 13.540 33.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21390 ATOM 21386 OW SOL 6605 40.350 8.980 20.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21391 ATOM 21387 HW1 SOL 6605 41.340 9.050 21.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21392 ATOM 21388 HW2 SOL 6605 40.110 9.010 19.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21393 ATOM 21389 OW SOL 6606 52.970 7.830 25.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21394 ATOM 21390 HW1 SOL 6606 52.570 7.550 26.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21395 ATOM 21391 HW2 SOL 6606 53.640 8.560 25.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21396 ATOM 21392 OW SOL 6607 42.600 13.620 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21397 ATOM 21393 HW1 SOL 6607 41.650 13.780 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21398 ATOM 21394 HW2 SOL 6607 42.670 13.650 34.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21399 ATOM 21395 OW SOL 6608 47.980 17.200 21.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21400 ATOM 21396 HW1 SOL 6608 46.990 17.250 21.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21401 ATOM 21397 HW2 SOL 6608 48.310 16.430 21.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21402 ATOM 21398 OW SOL 6609 35.960 3.540 33.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21403 ATOM 21399 HW1 SOL 6609 35.670 3.800 32.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21404 ATOM 21400 HW2 SOL 6609 36.730 2.910 33.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21405 ATOM 21401 OW SOL 6610 52.570 13.190 17.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21406 ATOM 21402 HW1 SOL 6610 51.800 13.760 17.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21407 ATOM 21403 HW2 SOL 6610 52.300 12.610 18.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21408 ATOM 21404 OW SOL 6611 40.730 15.540 22.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21409 ATOM 21405 HW1 SOL 6611 41.010 16.420 22.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21410 ATOM 21406 HW2 SOL 6611 41.350 15.290 21.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21411 ATOM 21407 OW SOL 6612 50.550 0.550 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21412 ATOM 21408 HW1 SOL 6612 50.750 -0.310 20.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21413 ATOM 21409 HW2 SOL 6612 51.380 1.110 21.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21414 ATOM 21410 OW SOL 6613 38.590 17.870 30.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21415 ATOM 21411 HW1 SOL 6613 38.460 17.700 29.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21416 ATOM 21412 HW2 SOL 6613 39.160 18.680 30.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21417 ATOM 21413 OW SOL 6614 47.800 15.190 26.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21418 ATOM 21414 HW1 SOL 6614 48.450 15.730 27.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21419 ATOM 21415 HW2 SOL 6614 48.170 14.280 26.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21420 ATOM 21416 OW SOL 6615 40.830 5.190 23.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21421 ATOM 21417 HW1 SOL 6615 40.680 4.220 22.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21422 ATOM 21418 HW2 SOL 6615 40.000 5.710 22.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21423 ATOM 21419 OW SOL 6616 51.150 2.060 36.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21424 ATOM 21420 HW1 SOL 6616 50.710 2.600 36.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21425 ATOM 21421 HW2 SOL 6616 51.560 1.240 36.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21426 ATOM 21422 OW SOL 6617 43.460 0.260 17.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21427 ATOM 21423 HW1 SOL 6617 43.710 -0.700 17.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21428 ATOM 21424 HW2 SOL 6617 42.640 0.440 17.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21429 ATOM 21425 OW SOL 6618 43.200 1.060 34.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21430 ATOM 21426 HW1 SOL 6618 43.900 0.980 35.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21431 ATOM 21427 HW2 SOL 6618 42.340 0.690 35.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21432 ATOM 21428 OW SOL 6619 47.100 16.170 29.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21433 ATOM 21429 HW1 SOL 6619 46.380 16.250 29.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21434 ATOM 21430 HW2 SOL 6619 46.870 15.430 30.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21435 ATOM 21431 OW SOL 6620 48.540 6.070 31.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21436 ATOM 21432 HW1 SOL 6620 48.390 5.640 32.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21437 ATOM 21433 HW2 SOL 6620 49.160 6.840 31.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21438 ATOM 21434 OW SOL 6621 45.090 12.830 27.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21439 ATOM 21435 HW1 SOL 6621 45.850 13.440 27.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21440 ATOM 21436 HW2 SOL 6621 44.410 12.860 26.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21441 ATOM 21437 OW SOL 6622 44.600 5.230 26.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21442 ATOM 21438 HW1 SOL 6622 44.080 5.010 25.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21443 ATOM 21439 HW2 SOL 6622 44.940 4.390 26.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21444 ATOM 21440 OW SOL 6623 41.740 72.500 22.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21445 ATOM 21441 HW1 SOL 6623 41.330 71.630 23.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21446 ATOM 21442 HW2 SOL 6623 42.270 72.380 22.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21447 ATOM 21443 OW SOL 6624 51.310 11.410 19.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21448 ATOM 21444 HW1 SOL 6624 51.690 10.500 19.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21449 ATOM 21445 HW2 SOL 6624 50.750 11.660 20.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21450 ATOM 21446 OW SOL 6625 40.040 0.360 20.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21451 ATOM 21447 HW1 SOL 6625 40.400 1.200 20.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21452 ATOM 21448 HW2 SOL 6625 40.030 0.450 19.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21453 ATOM 21449 OW SOL 6626 46.630 2.580 23.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21454 ATOM 21450 HW1 SOL 6626 46.350 2.130 22.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21455 ATOM 21451 HW2 SOL 6626 47.610 2.770 23.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21456 ATOM 21452 OW SOL 6627 46.130 8.020 32.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21457 ATOM 21453 HW1 SOL 6627 45.390 7.440 32.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21458 ATOM 21454 HW2 SOL 6627 46.810 7.460 31.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21459 ATOM 21455 OW SOL 6628 51.320 18.070 29.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21460 ATOM 21456 HW1 SOL 6628 50.830 18.820 29.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21461 ATOM 21457 HW2 SOL 6628 52.270 18.340 29.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21462 ATOM 21458 OW SOL 6629 41.220 10.650 25.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21463 ATOM 21459 HW1 SOL 6629 40.830 10.540 26.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21464 ATOM 21460 HW2 SOL 6629 40.560 11.140 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21465 ATOM 21461 OW SOL 6630 50.160 18.510 24.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21466 ATOM 21462 HW1 SOL 6630 50.340 19.460 24.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21467 ATOM 21463 HW2 SOL 6630 49.170 18.390 24.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21468 ATOM 21464 OW SOL 6631 48.210 3.150 18.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21469 ATOM 21465 HW1 SOL 6631 47.660 3.340 17.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21470 ATOM 21466 HW2 SOL 6631 48.310 3.990 19.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21471 ATOM 21467 OW SOL 6632 37.810 6.580 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21472 ATOM 21468 HW1 SOL 6632 38.680 6.180 30.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21473 ATOM 21469 HW2 SOL 6632 37.820 6.680 31.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21474 ATOM 21470 OW SOL 6633 43.350 2.380 29.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21475 ATOM 21471 HW1 SOL 6633 43.590 1.550 29.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21476 ATOM 21472 HW2 SOL 6633 42.850 3.010 29.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21477 ATOM 21473 OW SOL 6634 44.600 4.490 23.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21478 ATOM 21474 HW1 SOL 6634 44.370 4.740 22.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21479 ATOM 21475 HW2 SOL 6634 45.410 3.900 23.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21480 ATOM 21476 OW SOL 6635 45.470 2.900 27.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21481 ATOM 21477 HW1 SOL 6635 44.880 2.530 28.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21482 ATOM 21478 HW2 SOL 6635 45.630 2.200 26.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21483 ATOM 21479 OW SOL 6636 50.890 12.140 26.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21484 ATOM 21480 HW1 SOL 6636 50.480 11.280 26.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21485 ATOM 21481 HW2 SOL 6636 51.430 11.960 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21486 ATOM 21482 OW SOL 6637 51.420 7.210 27.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21487 ATOM 21483 HW1 SOL 6637 51.520 7.260 28.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21488 ATOM 21484 HW2 SOL 6637 50.990 6.340 27.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21489 ATOM 21485 OW SOL 6638 56.570 5.720 23.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21490 ATOM 21486 HW1 SOL 6638 56.640 5.570 24.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21491 ATOM 21487 HW2 SOL 6638 56.680 4.850 23.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21492 ATOM 21488 OW SOL 6639 41.170 12.240 19.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21493 ATOM 21489 HW1 SOL 6639 40.320 12.180 19.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21494 ATOM 21490 HW2 SOL 6639 41.040 11.810 18.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21495 ATOM 21491 OW SOL 6640 54.610 13.010 24.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21496 ATOM 21492 HW1 SOL 6640 55.530 12.930 24.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21497 ATOM 21493 HW2 SOL 6640 54.170 13.830 24.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21498 ATOM 21494 OW SOL 6641 51.350 6.540 19.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21499 ATOM 21495 HW1 SOL 6641 50.420 6.210 19.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21500 ATOM 21496 HW2 SOL 6641 51.490 7.420 19.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21501 ATOM 21497 OW SOL 6642 42.990 1.110 20.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21502 ATOM 21498 HW1 SOL 6642 43.110 0.720 19.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21503 ATOM 21499 HW2 SOL 6642 42.320 1.850 20.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21504 ATOM 21500 OW SOL 6643 53.790 12.340 34.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21505 ATOM 21501 HW1 SOL 6643 54.110 11.430 34.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21506 ATOM 21502 HW2 SOL 6643 54.530 13.000 34.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21507 ATOM 21503 OW SOL 6644 46.800 13.790 31.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21508 ATOM 21504 HW1 SOL 6644 46.230 13.020 31.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21509 ATOM 21505 HW2 SOL 6644 47.400 14.050 31.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21510 ATOM 21506 OW SOL 6645 53.600 15.690 36.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21511 ATOM 21507 HW1 SOL 6645 53.330 15.630 35.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21512 ATOM 21508 HW2 SOL 6645 53.840 14.780 36.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21513 ATOM 21509 OW SOL 6646 47.600 11.870 29.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21514 ATOM 21510 HW1 SOL 6646 46.970 12.610 29.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21515 ATOM 21511 HW2 SOL 6646 47.740 11.810 28.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21516 ATOM 21512 OW SOL 6647 52.340 10.430 29.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21517 ATOM 21513 HW1 SOL 6647 52.310 11.420 30.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21518 ATOM 21514 HW2 SOL 6647 51.410 10.070 29.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21519 ATOM 21515 OW SOL 6648 47.070 1.490 33.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21520 ATOM 21516 HW1 SOL 6648 47.540 1.260 32.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21521 ATOM 21517 HW2 SOL 6648 46.420 2.230 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21522 ATOM 21518 OW SOL 6649 45.980 11.510 35.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21523 ATOM 21519 HW1 SOL 6649 45.000 11.280 35.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21524 ATOM 21520 HW2 SOL 6649 46.380 11.050 34.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21525 ATOM 21521 OW SOL 6650 45.140 9.410 22.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21526 ATOM 21522 HW1 SOL 6650 44.790 9.810 23.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21527 ATOM 21523 HW2 SOL 6650 45.720 8.620 22.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21528 ATOM 21524 OW SOL 6651 40.490 9.420 32.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21529 ATOM 21525 HW1 SOL 6651 41.330 9.510 32.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21530 ATOM 21526 HW2 SOL 6651 39.750 9.090 32.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21531 ATOM 21527 OW SOL 6652 50.830 5.240 30.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21532 ATOM 21528 HW1 SOL 6652 51.500 5.830 30.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21533 ATOM 21529 HW2 SOL 6652 49.920 5.420 30.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21534 ATOM 21530 OW SOL 6653 37.680 15.250 31.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21535 ATOM 21531 HW1 SOL 6653 37.760 16.080 31.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21536 ATOM 21532 HW2 SOL 6653 38.460 14.660 31.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21537 ATOM 21533 OW SOL 6654 39.520 10.680 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21538 ATOM 21534 HW1 SOL 6654 39.040 11.240 22.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21539 ATOM 21535 HW2 SOL 6654 40.130 10.040 22.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21540 ATOM 21536 OW SOL 6655 43.030 2.110 24.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21541 ATOM 21537 HW1 SOL 6655 43.450 2.740 23.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21542 ATOM 21538 HW2 SOL 6655 42.410 1.490 23.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21543 ATOM 21539 OW SOL 6656 50.680 14.110 23.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21544 ATOM 21540 HW1 SOL 6656 51.060 15.040 23.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21545 ATOM 21541 HW2 SOL 6656 49.750 14.110 23.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21546 ATOM 21542 OW SOL 6657 49.330 16.660 28.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21547 ATOM 21543 HW1 SOL 6657 50.060 17.290 28.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21548 ATOM 21544 HW2 SOL 6657 48.730 16.480 29.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21549 ATOM 21545 OW SOL 6658 52.640 4.800 22.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21550 ATOM 21546 HW1 SOL 6658 51.700 5.110 22.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21551 ATOM 21547 HW2 SOL 6658 53.130 4.850 23.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21552 ATOM 21548 OW SOL 6659 40.560 13.740 31.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21553 ATOM 21549 HW1 SOL 6659 40.670 13.380 30.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21554 ATOM 21550 HW2 SOL 6659 41.070 14.600 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21555 ATOM 21551 OW SOL 6660 42.590 7.520 34.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21556 ATOM 21552 HW1 SOL 6660 42.540 8.420 34.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21557 ATOM 21553 HW2 SOL 6660 43.370 7.010 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21558 ATOM 21554 OW SOL 6661 53.300 8.490 34.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21559 ATOM 21555 HW1 SOL 6661 52.750 9.320 33.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21560 ATOM 21556 HW2 SOL 6661 53.960 8.390 33.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21561 ATOM 21557 OW SOL 6662 45.330 0.610 36.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21562 ATOM 21558 HW1 SOL 6662 46.100 1.010 37.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21563 ATOM 21559 HW2 SOL 6662 45.670 0.020 35.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21564 ATOM 21560 OW SOL 6663 40.520 1.530 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21565 ATOM 21561 HW1 SOL 6663 39.570 1.240 36.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21566 ATOM 21562 HW2 SOL 6663 40.570 2.430 35.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21567 ATOM 21563 OW SOL 6664 42.370 9.750 30.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21568 ATOM 21564 HW1 SOL 6664 42.810 10.630 29.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21569 ATOM 21565 HW2 SOL 6664 41.550 9.910 30.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21570 ATOM 21566 OW SOL 6665 50.240 9.560 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21571 ATOM 21567 HW1 SOL 6665 49.430 9.490 26.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21572 ATOM 21568 HW2 SOL 6665 50.690 8.670 27.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21573 ATOM 21569 OW SOL 6666 48.990 5.490 20.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21574 ATOM 21570 HW1 SOL 6666 49.260 4.940 21.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21575 ATOM 21571 HW2 SOL 6666 48.230 6.080 20.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21576 ATOM 21572 OW SOL 6667 40.980 3.370 30.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21577 ATOM 21573 HW1 SOL 6667 41.490 3.000 31.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21578 ATOM 21574 HW2 SOL 6667 40.960 4.370 30.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21579 ATOM 21575 OW SOL 6668 34.960 15.830 32.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21580 ATOM 21576 HW1 SOL 6668 34.380 15.140 32.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21581 ATOM 21577 HW2 SOL 6668 35.890 15.490 32.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21582 ATOM 21578 OW SOL 6669 42.780 6.990 28.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21583 ATOM 21579 HW1 SOL 6669 43.640 6.730 27.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21584 ATOM 21580 HW2 SOL 6669 42.020 6.630 27.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21585 ATOM 21581 OW SOL 6670 54.440 10.270 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21586 ATOM 21582 HW1 SOL 6670 54.290 9.530 35.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21587 ATOM 21583 HW2 SOL 6670 53.820 10.150 36.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21588 ATOM 21584 OW SOL 6671 38.200 72.300 23.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21589 ATOM 21585 HW1 SOL 6671 38.140 73.290 23.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21590 ATOM 21586 HW2 SOL 6671 38.680 71.910 24.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21591 ATOM 21587 OW SOL 6672 52.040 2.650 21.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21592 ATOM 21588 HW1 SOL 6672 52.010 2.870 20.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21593 ATOM 21589 HW2 SOL 6672 52.490 3.400 21.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21594 ATOM 21590 OW SOL 6673 47.230 6.390 26.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21595 ATOM 21591 HW1 SOL 6673 47.260 7.390 26.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21596 ATOM 21592 HW2 SOL 6673 46.320 6.070 26.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21597 ATOM 21593 OW SOL 6674 44.090 14.100 36.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21598 ATOM 21594 HW1 SOL 6674 44.050 14.800 35.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21599 ATOM 21595 HW2 SOL 6674 45.040 13.900 36.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21600 ATOM 21596 OW SOL 6675 55.880 13.870 34.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21601 ATOM 21597 HW1 SOL 6675 55.990 14.340 34.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21602 ATOM 21598 HW2 SOL 6675 56.400 14.360 35.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21603 ATOM 21599 OW SOL 6676 39.690 7.810 35.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21604 ATOM 21600 HW1 SOL 6676 39.670 7.910 36.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21605 ATOM 21601 HW2 SOL 6676 40.650 7.760 34.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21606 ATOM 21602 OW SOL 6677 51.290 2.030 17.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21607 ATOM 21603 HW1 SOL 6677 51.980 1.310 17.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21608 ATOM 21604 HW2 SOL 6677 50.510 1.850 18.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21609 ATOM 21605 OW SOL 6678 49.080 8.530 17.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21610 ATOM 21606 HW1 SOL 6678 49.860 8.120 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21611 ATOM 21607 HW2 SOL 6678 48.720 9.290 16.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21612 ATOM 21608 OW SOL 6679 48.180 12.420 26.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21613 ATOM 21609 HW1 SOL 6679 49.110 12.350 26.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21614 ATOM 21610 HW2 SOL 6679 48.200 12.280 25.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21615 ATOM 21611 OW SOL 6680 38.220 8.770 27.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21616 ATOM 21612 HW1 SOL 6680 38.760 9.570 27.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21617 ATOM 21613 HW2 SOL 6680 38.830 7.990 26.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21618 ATOM 21614 OW SOL 6681 39.680 6.220 27.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21619 ATOM 21615 HW1 SOL 6681 39.590 5.220 27.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21620 ATOM 21616 HW2 SOL 6681 40.310 6.470 26.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21621 ATOM 21617 OW SOL 6682 45.090 2.810 31.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21622 ATOM 21618 HW1 SOL 6682 44.340 2.850 32.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21623 ATOM 21619 HW2 SOL 6682 45.080 3.630 31.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21624 ATOM 21620 OW SOL 6683 51.230 2.520 31.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21625 ATOM 21621 HW1 SOL 6683 50.620 2.350 32.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21626 ATOM 21622 HW2 SOL 6683 51.200 3.480 31.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21627 ATOM 21623 OW SOL 6684 35.160 13.140 19.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21628 ATOM 21624 HW1 SOL 6684 34.440 13.670 19.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21629 ATOM 21625 HW2 SOL 6684 34.750 12.540 20.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21630 ATOM 21626 OW SOL 6685 38.110 17.570 27.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21631 ATOM 21627 HW1 SOL 6685 37.410 16.930 27.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21632 ATOM 21628 HW2 SOL 6685 38.950 17.080 28.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21633 ATOM 21629 OW SOL 6686 41.250 14.600 25.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21634 ATOM 21630 HW1 SOL 6686 42.110 14.140 25.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21635 ATOM 21631 HW2 SOL 6686 40.500 13.940 25.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21636 ATOM 21632 OW SOL 6687 44.940 9.210 29.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21637 ATOM 21633 HW1 SOL 6687 45.280 8.710 30.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21638 ATOM 21634 HW2 SOL 6687 43.940 9.200 29.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21639 ATOM 21635 OW SOL 6688 36.180 7.870 28.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21640 ATOM 21636 HW1 SOL 6688 36.830 8.380 28.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21641 ATOM 21637 HW2 SOL 6688 36.600 7.630 29.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21642 ATOM 21638 OW SOL 6689 38.240 4.790 34.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21643 ATOM 21639 HW1 SOL 6689 37.580 4.130 34.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21644 ATOM 21640 HW2 SOL 6689 37.920 5.720 34.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21645 ATOM 21641 OW SOL 6690 49.570 8.940 33.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21646 ATOM 21642 HW1 SOL 6690 50.150 9.720 34.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21647 ATOM 21643 HW2 SOL 6690 49.670 8.720 33.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21648 ATOM 21644 OW SOL 6691 44.540 4.750 20.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21649 ATOM 21645 HW1 SOL 6691 44.660 3.780 20.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21650 ATOM 21646 HW2 SOL 6691 43.810 5.130 20.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21651 ATOM 21647 OW SOL 6692 54.450 5.330 32.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21652 ATOM 21648 HW1 SOL 6692 54.400 4.470 32.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21653 ATOM 21649 HW2 SOL 6692 54.470 5.140 31.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21654 ATOM 21650 OW SOL 6693 40.020 15.690 34.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21655 ATOM 21651 HW1 SOL 6693 39.550 14.850 34.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21656 ATOM 21652 HW2 SOL 6693 40.250 15.650 35.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21657 ATOM 21653 OW SOL 6694 43.880 5.460 30.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21658 ATOM 21654 HW1 SOL 6694 44.870 5.520 30.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21659 ATOM 21655 HW2 SOL 6694 43.420 5.790 29.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21660 ATOM 21656 OW SOL 6695 44.730 15.990 34.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21661 ATOM 21657 HW1 SOL 6695 44.770 16.240 33.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21662 ATOM 21658 HW2 SOL 6695 45.480 16.440 35.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21663 ATOM 21659 OW SOL 6696 40.420 5.690 18.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21664 ATOM 21660 HW1 SOL 6696 41.020 5.790 19.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21665 ATOM 21661 HW2 SOL 6696 39.500 6.010 18.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21666 ATOM 21662 OW SOL 6697 35.710 11.680 32.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21667 ATOM 21663 HW1 SOL 6697 35.290 12.210 33.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21668 ATOM 21664 HW2 SOL 6697 36.640 12.020 32.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21669 ATOM 21665 OW SOL 6698 49.610 9.990 29.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21670 ATOM 21666 HW1 SOL 6698 49.710 9.590 28.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21671 ATOM 21667 HW2 SOL 6698 48.880 10.670 29.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21672 ATOM 21668 OW SOL 6699 51.180 8.670 20.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21673 ATOM 21669 HW1 SOL 6699 51.470 8.630 21.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21674 ATOM 21670 HW2 SOL 6699 50.190 8.750 20.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21675 ATOM 21671 OW SOL 6700 54.470 16.480 30.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21676 ATOM 21672 HW1 SOL 6700 54.160 17.370 30.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21677 ATOM 21673 HW2 SOL 6700 53.920 15.760 29.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21678 ATOM 21674 OW SOL 6701 50.170 17.300 32.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21679 ATOM 21675 HW1 SOL 6701 50.400 16.430 31.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21680 ATOM 21676 HW2 SOL 6701 50.950 17.610 32.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21681 ATOM 21677 OW SOL 6702 35.970 12.280 28.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21682 ATOM 21678 HW1 SOL 6702 35.470 13.110 28.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21683 ATOM 21679 HW2 SOL 6702 35.350 11.490 28.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21684 ATOM 21680 OW SOL 6703 53.830 72.520 20.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21685 ATOM 21681 HW1 SOL 6703 54.170 73.450 20.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21686 ATOM 21682 HW2 SOL 6703 53.390 72.230 21.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21687 ATOM 21683 OW SOL 6704 52.020 16.760 23.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21688 ATOM 21684 HW1 SOL 6704 52.350 17.290 22.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21689 ATOM 21685 HW2 SOL 6704 51.440 17.330 24.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21690 ATOM 21686 OW SOL 6705 38.420 16.450 38.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21691 ATOM 21687 HW1 SOL 6705 38.370 17.140 39.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21692 ATOM 21688 HW2 SOL 6705 37.540 15.980 38.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21693 ATOM 21689 OW SOL 6706 51.280 9.080 23.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21694 ATOM 21690 HW1 SOL 6706 51.720 8.500 24.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21695 ATOM 21691 HW2 SOL 6706 51.530 10.040 23.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21696 ATOM 21692 OW SOL 6707 44.080 15.680 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21697 ATOM 21693 HW1 SOL 6707 43.500 15.030 32.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21698 ATOM 21694 HW2 SOL 6707 44.130 15.410 31.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21699 ATOM 21695 OW SOL 6708 42.090 14.870 20.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21700 ATOM 21696 HW1 SOL 6708 41.960 15.540 19.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21701 ATOM 21697 HW2 SOL 6708 41.740 13.980 19.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21702 ATOM 21698 OW SOL 6709 53.010 15.740 33.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21703 ATOM 21699 HW1 SOL 6709 53.940 15.850 33.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21704 ATOM 21700 HW2 SOL 6709 52.550 16.630 33.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21705 ATOM 21701 OW SOL 6710 54.610 1.530 24.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21706 ATOM 21702 HW1 SOL 6710 54.370 0.630 23.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21707 ATOM 21703 HW2 SOL 6710 53.920 1.840 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21708 ATOM 21704 OW SOL 6711 37.980 2.390 23.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21709 ATOM 21705 HW1 SOL 6711 37.630 3.190 23.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21710 ATOM 21706 HW2 SOL 6711 37.540 2.340 24.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21711 ATOM 21707 OW SOL 6712 49.840 14.480 18.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21712 ATOM 21708 HW1 SOL 6712 49.390 13.590 18.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21713 ATOM 21709 HW2 SOL 6712 49.180 15.140 17.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21714 ATOM 21710 OW SOL 6713 44.420 11.890 32.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21715 ATOM 21711 HW1 SOL 6713 44.120 11.750 31.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21716 ATOM 21712 HW2 SOL 6713 43.870 12.610 32.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21717 ATOM 21713 OW SOL 6714 48.820 10.490 23.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21718 ATOM 21714 HW1 SOL 6714 48.690 10.970 22.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21719 ATOM 21715 HW2 SOL 6714 49.560 9.820 23.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21720 ATOM 21716 OW SOL 6715 51.680 16.270 19.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21721 ATOM 21717 HW1 SOL 6715 50.940 15.600 19.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21722 ATOM 21718 HW2 SOL 6715 52.220 16.340 18.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21723 ATOM 21719 OW SOL 6716 38.340 11.800 31.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21724 ATOM 21720 HW1 SOL 6716 39.240 12.230 31.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21725 ATOM 21721 HW2 SOL 6716 38.400 11.060 32.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21726 ATOM 21722 OW SOL 6717 52.520 12.840 31.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21727 ATOM 21723 HW1 SOL 6717 53.220 12.850 31.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21728 ATOM 21724 HW2 SOL 6717 51.710 13.320 31.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21729 ATOM 21725 OW SOL 6718 47.530 9.020 25.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21730 ATOM 21726 HW1 SOL 6718 46.780 9.380 26.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21731 ATOM 21727 HW2 SOL 6718 47.890 9.750 25.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21732 ATOM 21728 OW SOL 6719 48.010 2.960 28.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21733 ATOM 21729 HW1 SOL 6719 47.080 2.900 28.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21734 ATOM 21730 HW2 SOL 6719 48.170 2.190 29.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21735 ATOM 21731 OW SOL 6720 43.410 13.540 22.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21736 ATOM 21732 HW1 SOL 6720 43.780 12.960 22.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21737 ATOM 21733 HW2 SOL 6720 42.480 13.820 22.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21738 ATOM 21734 OW SOL 6721 56.450 1.330 30.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21739 ATOM 21735 HW1 SOL 6721 55.930 2.130 31.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21740 ATOM 21736 HW2 SOL 6721 56.490 1.320 29.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21741 ATOM 21737 OW SOL 6722 38.610 12.350 20.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21742 ATOM 21738 HW1 SOL 6722 37.880 11.680 21.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21743 ATOM 21739 HW2 SOL 6722 38.230 13.260 20.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21744 ATOM 21740 OW SOL 6723 38.520 10.280 34.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21745 ATOM 21741 HW1 SOL 6723 37.970 10.650 35.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21746 ATOM 21742 HW2 SOL 6723 38.860 9.370 35.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21747 ATOM 21743 OW SOL 6724 44.590 72.480 32.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21748 ATOM 21744 HW1 SOL 6724 45.440 72.950 32.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21749 ATOM 21745 HW2 SOL 6724 44.120 72.970 33.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21750 ATOM 21746 OW SOL 6725 36.790 3.250 16.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21751 ATOM 21747 HW1 SOL 6725 36.800 3.060 15.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21752 ATOM 21748 HW2 SOL 6725 36.740 4.230 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21753 ATOM 21749 OW SOL 6726 50.350 8.070 31.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21754 ATOM 21750 HW1 SOL 6726 49.900 8.730 30.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21755 ATOM 21751 HW2 SOL 6726 51.340 8.150 31.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21756 ATOM 21752 OW SOL 6727 36.990 1.840 19.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21757 ATOM 21753 HW1 SOL 6727 37.010 2.480 18.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21758 ATOM 21754 HW2 SOL 6727 37.810 1.270 19.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21759 ATOM 21755 OW SOL 6728 49.470 12.240 21.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21760 ATOM 21756 HW1 SOL 6728 48.790 12.720 20.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21761 ATOM 21757 HW2 SOL 6728 49.800 12.850 22.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21762 ATOM 21758 OW SOL 6729 42.700 10.060 33.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21763 ATOM 21759 HW1 SOL 6729 42.530 10.770 34.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21764 ATOM 21760 HW2 SOL 6729 43.350 10.400 32.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21765 ATOM 21761 OW SOL 6730 53.920 19.140 29.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21766 ATOM 21762 HW1 SOL 6730 53.630 20.090 29.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21767 ATOM 21763 HW2 SOL 6730 54.660 19.070 28.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21768 ATOM 21764 OW SOL 6731 44.920 4.070 34.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21769 ATOM 21765 HW1 SOL 6731 45.500 4.450 35.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21770 ATOM 21766 HW2 SOL 6731 44.190 3.520 35.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21771 ATOM 21767 OW SOL 6732 51.360 10.980 34.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21772 ATOM 21768 HW1 SOL 6732 50.590 11.390 33.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21773 ATOM 21769 HW2 SOL 6732 52.110 11.640 34.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21774 ATOM 21770 OW SOL 6733 38.430 17.560 33.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21775 ATOM 21771 HW1 SOL 6733 38.590 17.450 32.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21776 ATOM 21772 HW2 SOL 6733 38.930 16.860 33.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21777 ATOM 21773 OW SOL 6734 53.010 7.330 30.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21778 ATOM 21774 HW1 SOL 6734 53.760 7.040 30.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21779 ATOM 21775 HW2 SOL 6734 53.380 7.880 29.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21780 ATOM 21776 OW SOL 6735 49.180 3.380 22.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21781 ATOM 21777 HW1 SOL 6735 49.910 2.790 22.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21782 ATOM 21778 HW2 SOL 6735 49.530 3.940 23.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21783 ATOM 21779 OW SOL 6736 41.450 7.020 25.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21784 ATOM 21780 HW1 SOL 6736 42.110 7.770 25.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21785 ATOM 21781 HW2 SOL 6736 41.580 6.450 24.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21786 ATOM 21782 OW SOL 6737 53.220 3.550 35.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21787 ATOM 21783 HW1 SOL 6737 53.580 3.210 34.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21788 ATOM 21784 HW2 SOL 6737 52.350 3.100 35.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21789 ATOM 21785 OW SOL 6738 54.270 9.790 31.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21790 ATOM 21786 HW1 SOL 6738 54.810 10.630 31.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21791 ATOM 21787 HW2 SOL 6738 53.460 9.960 31.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21792 ATOM 21788 OW SOL 6739 47.120 13.590 20.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21793 ATOM 21789 HW1 SOL 6739 46.570 12.770 20.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21794 ATOM 21790 HW2 SOL 6739 47.030 14.210 20.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21795 ATOM 21791 OW SOL 6740 45.320 16.010 27.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21796 ATOM 21792 HW1 SOL 6740 44.700 16.340 26.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21797 ATOM 21793 HW2 SOL 6740 46.200 15.780 27.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21798 ATOM 21794 OW SOL 6741 45.210 10.060 27.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21799 ATOM 21795 HW1 SOL 6741 45.040 9.570 27.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21800 ATOM 21796 HW2 SOL 6741 45.160 11.050 27.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21801 ATOM 21797 OW SOL 6742 48.510 8.750 20.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21802 ATOM 21798 HW1 SOL 6742 47.810 8.110 20.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21803 ATOM 21799 HW2 SOL 6742 48.590 8.670 19.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21804 ATOM 21800 OW SOL 6743 55.120 15.990 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21805 ATOM 21801 HW1 SOL 6743 54.560 15.830 26.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21806 ATOM 21802 HW2 SOL 6743 54.820 15.390 27.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21807 ATOM 21803 OW SOL 6744 39.530 12.940 34.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21808 ATOM 21804 HW1 SOL 6744 39.710 12.000 34.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21809 ATOM 21805 HW2 SOL 6744 39.680 13.020 35.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21810 ATOM 21806 OW SOL 6745 37.090 11.540 26.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21811 ATOM 21807 HW1 SOL 6745 36.630 11.890 27.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21812 ATOM 21808 HW2 SOL 6745 37.090 10.540 26.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21813 ATOM 21809 OW SOL 6746 41.080 16.220 32.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21814 ATOM 21810 HW1 SOL 6746 40.890 16.210 33.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21815 ATOM 21811 HW2 SOL 6746 41.560 17.070 32.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21816 ATOM 21812 OW SOL 6747 54.010 2.480 32.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21817 ATOM 21813 HW1 SOL 6747 54.190 1.520 33.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21818 ATOM 21814 HW2 SOL 6747 53.310 2.560 32.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21819 ATOM 21815 OW SOL 6748 40.430 2.530 22.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21820 ATOM 21816 HW1 SOL 6748 40.940 1.680 22.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21821 ATOM 21817 HW2 SOL 6748 39.740 2.440 23.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21822 ATOM 21818 OW SOL 6749 53.270 14.490 29.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21823 ATOM 21819 HW1 SOL 6749 52.530 14.620 28.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21824 ATOM 21820 HW2 SOL 6749 53.020 13.770 29.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21825 ATOM 21821 OW SOL 6750 40.470 6.400 30.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21826 ATOM 21822 HW1 SOL 6750 40.980 7.230 30.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21827 ATOM 21823 HW2 SOL 6750 40.510 6.220 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21828 ATOM 21824 OW SOL 6751 45.580 15.790 23.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21829 ATOM 21825 HW1 SOL 6751 44.990 16.410 24.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21830 ATOM 21826 HW2 SOL 6751 45.060 14.970 23.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21831 ATOM 21827 OW SOL 6752 50.480 3.840 28.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21832 ATOM 21828 HW1 SOL 6752 49.550 3.530 28.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21833 ATOM 21829 HW2 SOL 6752 50.790 4.400 28.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21834 ATOM 21830 OW SOL 6753 48.870 0.930 30.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21835 ATOM 21831 HW1 SOL 6753 49.220 0.150 30.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21836 ATOM 21832 HW2 SOL 6753 49.630 1.550 30.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21837 ATOM 21833 OW SOL 6754 45.060 11.490 21.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21838 ATOM 21834 HW1 SOL 6754 44.790 11.100 20.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21839 ATOM 21835 HW2 SOL 6754 45.440 10.780 21.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21840 ATOM 21836 OW SOL 6755 45.240 18.180 32.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21841 ATOM 21837 HW1 SOL 6755 46.130 18.280 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21842 ATOM 21838 HW2 SOL 6755 44.940 17.230 32.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21843 ATOM 21839 OW SOL 6756 50.810 70.730 20.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21844 ATOM 21840 HW1 SOL 6756 50.980 71.330 19.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21845 ATOM 21841 HW2 SOL 6756 49.830 70.690 20.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21846 ATOM 21842 OW SOL 6757 50.150 6.080 23.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21847 ATOM 21843 HW1 SOL 6757 49.970 7.070 23.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21848 ATOM 21844 HW2 SOL 6757 49.800 5.710 24.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21849 ATOM 21845 OW SOL 6758 52.600 3.030 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21850 ATOM 21846 HW1 SOL 6758 51.850 3.430 27.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21851 ATOM 21847 HW2 SOL 6758 53.080 3.750 26.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21852 ATOM 21848 OW SOL 6759 37.360 9.980 20.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21853 ATOM 21849 HW1 SOL 6759 38.140 9.390 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21854 ATOM 21850 HW2 SOL 6759 36.520 9.440 20.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21855 ATOM 21851 OW SOL 6760 44.090 16.850 21.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21856 ATOM 21852 HW1 SOL 6760 43.680 16.050 20.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21857 ATOM 21853 HW2 SOL 6760 44.920 16.580 21.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21858 ATOM 21854 OW SOL 6761 38.930 4.620 37.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21859 ATOM 21855 HW1 SOL 6761 38.150 4.630 38.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21860 ATOM 21856 HW2 SOL 6761 38.600 4.530 36.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21861 ATOM 21857 OW SOL 6762 38.690 3.110 47.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21862 ATOM 21858 HW1 SOL 6762 39.500 2.950 48.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21863 ATOM 21859 HW2 SOL 6762 38.330 2.240 47.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21864 ATOM 21860 OW SOL 6763 37.040 3.890 43.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21865 ATOM 21861 HW1 SOL 6763 36.330 4.020 43.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21866 ATOM 21862 HW2 SOL 6763 36.640 4.000 42.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21867 ATOM 21863 OW SOL 6764 44.110 13.010 48.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21868 ATOM 21864 HW1 SOL 6764 44.570 13.490 48.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21869 ATOM 21865 HW2 SOL 6764 43.970 13.650 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21870 ATOM 21866 OW SOL 6765 52.350 14.090 41.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21871 ATOM 21867 HW1 SOL 6765 52.510 14.200 42.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21872 ATOM 21868 HW2 SOL 6765 51.380 13.870 41.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21873 ATOM 21869 OW SOL 6766 45.320 6.490 42.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21874 ATOM 21870 HW1 SOL 6766 46.300 6.570 42.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21875 ATOM 21871 HW2 SOL 6766 44.820 6.990 42.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21876 ATOM 21872 OW SOL 6767 54.420 6.510 38.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21877 ATOM 21873 HW1 SOL 6767 53.800 6.520 37.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21878 ATOM 21874 HW2 SOL 6767 54.390 5.610 38.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21879 ATOM 21875 OW SOL 6768 43.850 10.360 47.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21880 ATOM 21876 HW1 SOL 6768 43.840 11.360 47.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21881 ATOM 21877 HW2 SOL 6768 43.240 10.090 47.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21882 ATOM 21878 OW SOL 6769 47.670 5.910 55.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21883 ATOM 21879 HW1 SOL 6769 47.340 5.700 55.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21884 ATOM 21880 HW2 SOL 6769 48.210 6.750 55.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21885 ATOM 21881 OW SOL 6770 42.930 10.600 42.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21886 ATOM 21882 HW1 SOL 6770 43.400 11.480 42.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21887 ATOM 21883 HW2 SOL 6770 42.230 10.550 41.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21888 ATOM 21884 OW SOL 6771 44.340 11.710 55.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21889 ATOM 21885 HW1 SOL 6771 44.690 12.330 56.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21890 ATOM 21886 HW2 SOL 6771 43.860 12.240 54.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21891 ATOM 21887 OW SOL 6772 40.220 13.450 46.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21892 ATOM 21888 HW1 SOL 6772 39.430 12.880 46.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21893 ATOM 21889 HW2 SOL 6772 40.970 13.270 45.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21894 ATOM 21890 OW SOL 6773 51.890 13.730 51.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21895 ATOM 21891 HW1 SOL 6773 52.580 14.420 51.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21896 ATOM 21892 HW2 SOL 6773 51.010 14.020 52.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21897 ATOM 21893 OW SOL 6774 41.250 4.880 50.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21898 ATOM 21894 HW1 SOL 6774 41.800 5.500 51.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21899 ATOM 21895 HW2 SOL 6774 41.100 4.030 50.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21900 ATOM 21896 OW SOL 6775 51.140 4.460 42.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21901 ATOM 21897 HW1 SOL 6775 51.240 5.450 42.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21902 ATOM 21898 HW2 SOL 6775 52.040 4.020 42.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21903 ATOM 21899 OW SOL 6776 47.490 11.180 54.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21904 ATOM 21900 HW1 SOL 6776 48.450 10.880 54.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21905 ATOM 21901 HW2 SOL 6776 46.950 10.460 53.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21906 ATOM 21902 OW SOL 6777 39.490 10.710 44.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21907 ATOM 21903 HW1 SOL 6777 39.600 9.790 45.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21908 ATOM 21904 HW2 SOL 6777 38.620 11.100 45.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21909 ATOM 21905 OW SOL 6778 39.870 17.290 52.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21910 ATOM 21906 HW1 SOL 6778 39.170 17.240 53.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21911 ATOM 21907 HW2 SOL 6778 40.420 18.110 52.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21912 ATOM 21908 OW SOL 6779 43.100 8.700 37.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21913 ATOM 21909 HW1 SOL 6779 42.320 8.250 36.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21914 ATOM 21910 HW2 SOL 6779 43.850 8.050 37.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21915 ATOM 21911 OW SOL 6780 52.240 1.690 51.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21916 ATOM 21912 HW1 SOL 6780 51.420 2.200 51.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21917 ATOM 21913 HW2 SOL 6780 52.590 2.030 50.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21918 ATOM 21914 OW SOL 6781 39.040 5.500 43.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21919 ATOM 21915 HW1 SOL 6781 38.220 4.940 43.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21920 ATOM 21916 HW2 SOL 6781 39.390 5.430 44.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21921 ATOM 21917 OW SOL 6782 36.570 13.590 42.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21922 ATOM 21918 HW1 SOL 6782 37.220 13.770 41.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21923 ATOM 21919 HW2 SOL 6782 36.540 12.610 42.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21924 ATOM 21920 OW SOL 6783 53.170 8.210 43.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21925 ATOM 21921 HW1 SOL 6783 53.960 8.440 43.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21926 ATOM 21922 HW2 SOL 6783 53.350 7.380 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21927 ATOM 21923 OW SOL 6784 51.870 10.620 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21928 ATOM 21924 HW1 SOL 6784 52.030 9.740 43.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21929 ATOM 21925 HW2 SOL 6784 52.720 10.930 42.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21930 ATOM 21926 OW SOL 6785 36.730 8.240 51.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21931 ATOM 21927 HW1 SOL 6785 37.430 8.400 52.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21932 ATOM 21928 HW2 SOL 6785 36.350 9.110 51.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21933 ATOM 21929 OW SOL 6786 44.740 12.730 43.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21934 ATOM 21930 HW1 SOL 6786 45.190 13.590 43.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21935 ATOM 21931 HW2 SOL 6786 45.430 12.090 43.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21936 ATOM 21932 OW SOL 6787 48.940 11.650 49.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21937 ATOM 21933 HW1 SOL 6787 48.240 11.160 49.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21938 ATOM 21934 HW2 SOL 6787 49.570 10.990 50.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21939 ATOM 21935 OW SOL 6788 45.270 71.750 42.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21940 ATOM 21936 HW1 SOL 6788 44.630 72.480 42.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21941 ATOM 21937 HW2 SOL 6788 45.020 70.910 42.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21942 ATOM 21938 OW SOL 6789 39.300 11.410 50.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21943 ATOM 21939 HW1 SOL 6789 39.840 10.570 50.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21944 ATOM 21940 HW2 SOL 6789 39.910 12.180 50.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21945 ATOM 21941 OW SOL 6790 53.150 9.420 37.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21946 ATOM 21942 HW1 SOL 6790 52.350 8.840 38.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21947 ATOM 21943 HW2 SOL 6790 53.900 9.070 38.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21948 ATOM 21944 OW SOL 6791 49.460 17.250 52.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21949 ATOM 21945 HW1 SOL 6791 49.380 18.210 51.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21950 ATOM 21946 HW2 SOL 6791 49.260 16.670 51.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21951 ATOM 21947 OW SOL 6792 36.780 3.220 55.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21952 ATOM 21948 HW1 SOL 6792 37.610 3.200 54.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21953 ATOM 21949 HW2 SOL 6792 35.990 2.990 54.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21954 ATOM 21950 OW SOL 6793 52.040 13.830 44.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21955 ATOM 21951 HW1 SOL 6793 52.890 13.880 44.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21956 ATOM 21952 HW2 SOL 6793 51.610 12.940 44.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21957 ATOM 21953 OW SOL 6794 42.210 6.880 39.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21958 ATOM 21954 HW1 SOL 6794 42.780 7.640 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21959 ATOM 21955 HW2 SOL 6794 41.740 6.490 40.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21960 ATOM 21956 OW SOL 6795 49.770 4.100 44.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21961 ATOM 21957 HW1 SOL 6795 50.170 3.820 44.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21962 ATOM 21958 HW2 SOL 6795 48.780 4.130 44.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21963 ATOM 21959 OW SOL 6796 44.120 5.720 49.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21964 ATOM 21960 HW1 SOL 6796 44.370 5.010 50.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21965 ATOM 21961 HW2 SOL 6796 43.990 5.320 49.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21966 ATOM 21962 OW SOL 6797 51.180 5.500 53.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21967 ATOM 21963 HW1 SOL 6797 51.350 6.040 54.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21968 ATOM 21964 HW2 SOL 6797 52.040 5.320 53.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21969 ATOM 21965 OW SOL 6798 46.070 8.490 53.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21970 ATOM 21966 HW1 SOL 6798 46.360 7.540 53.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21971 ATOM 21967 HW2 SOL 6798 45.700 8.690 52.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21972 ATOM 21968 OW SOL 6799 46.390 4.280 47.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21973 ATOM 21969 HW1 SOL 6799 45.400 4.380 47.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21974 ATOM 21970 HW2 SOL 6799 46.630 3.310 47.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21975 ATOM 21971 OW SOL 6800 45.350 5.390 39.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21976 ATOM 21972 HW1 SOL 6800 45.270 5.320 40.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21977 ATOM 21973 HW2 SOL 6800 44.860 4.630 39.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21978 ATOM 21974 OW SOL 6801 37.000 7.560 46.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21979 ATOM 21975 HW1 SOL 6801 36.730 6.720 47.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21980 ATOM 21976 HW2 SOL 6801 36.440 8.320 46.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21981 ATOM 21977 OW SOL 6802 35.060 18.650 56.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21982 ATOM 21978 HW1 SOL 6802 35.700 18.140 56.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21983 ATOM 21979 HW2 SOL 6802 34.130 18.500 56.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21984 ATOM 21980 OW SOL 6803 43.910 0.460 38.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21985 ATOM 21981 HW1 SOL 6803 44.470 0.450 38.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21986 ATOM 21982 HW2 SOL 6803 43.090 -0.080 38.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21987 ATOM 21983 OW SOL 6804 55.330 6.530 53.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21988 ATOM 21984 HW1 SOL 6804 54.830 7.390 53.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21989 ATOM 21985 HW2 SOL 6804 54.890 5.830 53.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21990 ATOM 21986 OW SOL 6805 50.200 10.410 40.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21991 ATOM 21987 HW1 SOL 6805 50.860 10.650 41.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21992 ATOM 21988 HW2 SOL 6805 50.530 9.610 39.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21993 ATOM 21989 OW SOL 6806 42.460 0.120 45.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21994 ATOM 21990 HW1 SOL 6806 41.760 -0.170 44.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21995 ATOM 21991 HW2 SOL 6806 43.360 -0.190 44.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21996 ATOM 21992 OW SOL 6807 46.220 12.740 40.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21997 ATOM 21993 HW1 SOL 6807 45.810 12.720 39.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21998 ATOM 21994 HW2 SOL 6807 46.350 11.810 40.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
21999 ATOM 21995 OW SOL 6808 39.360 15.970 47.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22000 ATOM 21996 HW1 SOL 6808 39.870 15.180 46.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22001 ATOM 21997 HW2 SOL 6808 39.880 16.420 48.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22002 ATOM 21998 OW SOL 6809 54.700 10.650 46.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22003 ATOM 21999 HW1 SOL 6809 54.940 11.510 45.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22004 ATOM 22000 HW2 SOL 6809 53.740 10.690 46.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22005 ATOM 22001 OW SOL 6810 49.570 14.510 53.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22006 ATOM 22002 HW1 SOL 6810 48.840 14.280 53.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22007 ATOM 22003 HW2 SOL 6810 49.670 15.510 53.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22008 ATOM 22004 OW SOL 6811 38.850 8.770 40.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22009 ATOM 22005 HW1 SOL 6811 39.430 9.300 40.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22010 ATOM 22006 HW2 SOL 6811 39.130 7.810 40.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22011 ATOM 22007 OW SOL 6812 50.590 7.160 43.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22012 ATOM 22008 HW1 SOL 6812 50.600 6.910 44.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22013 ATOM 22009 HW2 SOL 6812 51.370 7.760 43.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22014 ATOM 22010 OW SOL 6813 42.800 13.130 53.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22015 ATOM 22011 HW1 SOL 6813 42.310 13.890 53.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22016 ATOM 22012 HW2 SOL 6813 42.200 12.660 54.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22017 ATOM 22013 OW SOL 6814 39.700 2.640 51.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22018 ATOM 22014 HW1 SOL 6814 38.930 3.230 51.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22019 ATOM 22015 HW2 SOL 6814 39.410 2.000 52.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22020 ATOM 22016 OW SOL 6815 53.720 13.190 37.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22021 ATOM 22017 HW1 SOL 6815 52.730 13.040 37.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22022 ATOM 22018 HW2 SOL 6815 54.140 12.370 36.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22023 ATOM 22019 OW SOL 6816 50.760 2.250 40.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22024 ATOM 22020 HW1 SOL 6816 51.420 1.990 40.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22025 ATOM 22021 HW2 SOL 6816 51.120 3.000 41.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22026 ATOM 22022 OW SOL 6817 38.690 16.450 50.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22027 ATOM 22023 HW1 SOL 6817 39.050 15.600 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22028 ATOM 22024 HW2 SOL 6817 39.250 16.720 50.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22029 ATOM 22025 OW SOL 6818 46.260 17.220 42.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22030 ATOM 22026 HW1 SOL 6818 46.730 17.990 42.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22031 ATOM 22027 HW2 SOL 6818 46.800 16.390 42.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22032 ATOM 22028 OW SOL 6819 41.460 5.240 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22033 ATOM 22029 HW1 SOL 6819 41.580 4.330 42.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22034 ATOM 22030 HW2 SOL 6819 40.510 5.350 42.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22035 ATOM 22031 OW SOL 6820 52.690 2.760 55.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22036 ATOM 22032 HW1 SOL 6820 52.420 2.250 55.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22037 ATOM 22033 HW2 SOL 6820 52.050 2.560 54.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22038 ATOM 22034 OW SOL 6821 42.080 71.450 37.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22039 ATOM 22035 HW1 SOL 6821 41.310 71.380 37.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22040 ATOM 22036 HW2 SOL 6821 42.870 70.960 37.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22041 ATOM 22037 OW SOL 6822 44.600 2.560 55.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22042 ATOM 22038 HW1 SOL 6822 45.370 2.670 56.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22043 ATOM 22039 HW2 SOL 6822 43.880 2.030 56.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22044 ATOM 22040 OW SOL 6823 45.520 15.160 49.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22045 ATOM 22041 HW1 SOL 6823 45.720 15.330 48.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22046 ATOM 22042 HW2 SOL 6823 46.330 14.790 49.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22047 ATOM 22043 OW SOL 6824 49.420 6.180 51.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22048 ATOM 22044 HW1 SOL 6824 50.040 6.000 52.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22049 ATOM 22045 HW2 SOL 6824 49.660 7.040 50.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22050 ATOM 22046 OW SOL 6825 45.960 15.470 46.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22051 ATOM 22047 HW1 SOL 6825 46.600 14.780 46.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22052 ATOM 22048 HW2 SOL 6825 45.940 16.250 45.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22053 ATOM 22049 OW SOL 6826 44.940 2.910 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22054 ATOM 22050 HW1 SOL 6826 45.100 2.550 43.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22055 ATOM 22051 HW2 SOL 6826 45.340 2.290 45.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22056 ATOM 22052 OW SOL 6827 42.480 72.380 41.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22057 ATOM 22053 HW1 SOL 6827 41.660 72.390 42.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22058 ATOM 22054 HW2 SOL 6827 42.700 71.430 41.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22059 ATOM 22055 OW SOL 6828 51.110 11.400 37.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22060 ATOM 22056 HW1 SOL 6828 51.770 10.800 37.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22061 ATOM 22057 HW2 SOL 6828 50.940 11.100 36.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22062 ATOM 22058 OW SOL 6829 38.770 0.820 40.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22063 ATOM 22059 HW1 SOL 6829 39.450 1.210 39.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22064 ATOM 22060 HW2 SOL 6829 38.760 1.330 41.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22065 ATOM 22061 OW SOL 6830 46.590 0.430 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22066 ATOM 22062 HW1 SOL 6830 45.860 -0.210 40.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22067 ATOM 22063 HW2 SOL 6830 47.440 0.140 40.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22068 ATOM 22064 OW SOL 6831 47.380 5.940 53.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22069 ATOM 22065 HW1 SOL 6831 46.670 5.390 52.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22070 ATOM 22066 HW2 SOL 6831 48.070 6.210 52.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22071 ATOM 22067 OW SOL 6832 49.470 14.950 44.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22072 ATOM 22068 HW1 SOL 6832 49.500 15.940 44.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22073 ATOM 22069 HW2 SOL 6832 50.400 14.610 44.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22074 ATOM 22070 OW SOL 6833 40.000 10.500 42.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22075 ATOM 22071 HW1 SOL 6833 39.950 10.770 43.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22076 ATOM 22072 HW2 SOL 6833 40.580 11.140 41.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22077 ATOM 22073 OW SOL 6834 48.730 17.570 44.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22078 ATOM 22074 HW1 SOL 6834 47.900 17.580 43.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22079 ATOM 22075 HW2 SOL 6834 48.700 18.340 44.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22080 ATOM 22076 OW SOL 6835 48.150 4.950 34.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22081 ATOM 22077 HW1 SOL 6835 47.360 5.440 34.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22082 ATOM 22078 HW2 SOL 6835 48.920 5.070 35.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22083 ATOM 22079 OW SOL 6836 37.910 6.750 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22084 ATOM 22080 HW1 SOL 6836 38.770 7.040 49.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22085 ATOM 22081 HW2 SOL 6836 37.600 7.450 50.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22086 ATOM 22082 OW SOL 6837 42.310 2.090 47.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22087 ATOM 22083 HW1 SOL 6837 42.190 1.260 46.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22088 ATOM 22084 HW2 SOL 6837 41.910 1.960 48.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22089 ATOM 22085 OW SOL 6838 44.960 2.360 41.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22090 ATOM 22086 HW1 SOL 6838 44.470 3.130 41.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22091 ATOM 22087 HW2 SOL 6838 45.530 1.920 41.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22092 ATOM 22088 OW SOL 6839 48.880 0.600 45.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22093 ATOM 22089 HW1 SOL 6839 48.920 1.170 44.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22094 ATOM 22090 HW2 SOL 6839 48.420 -0.270 45.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22095 ATOM 22091 OW SOL 6840 50.700 11.400 44.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22096 ATOM 22092 HW1 SOL 6840 49.750 11.110 45.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22097 ATOM 22093 HW2 SOL 6840 51.030 11.070 44.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22098 ATOM 22094 OW SOL 6841 50.640 6.240 46.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22099 ATOM 22095 HW1 SOL 6841 50.320 5.420 45.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22100 ATOM 22096 HW2 SOL 6841 51.310 5.980 46.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22101 ATOM 22097 OW SOL 6842 53.940 5.970 41.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22102 ATOM 22098 HW1 SOL 6842 54.240 5.050 42.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22103 ATOM 22099 HW2 SOL 6842 53.690 6.020 40.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22104 ATOM 22100 OW SOL 6843 40.650 15.500 37.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22105 ATOM 22101 HW1 SOL 6843 40.040 16.020 37.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22106 ATOM 22102 HW2 SOL 6843 41.090 14.770 37.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22107 ATOM 22103 OW SOL 6844 55.190 12.790 44.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22108 ATOM 22104 HW1 SOL 6844 55.410 11.950 43.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22109 ATOM 22105 HW2 SOL 6844 55.910 13.470 44.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22110 ATOM 22106 OW SOL 6845 50.240 5.660 36.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22111 ATOM 22107 HW1 SOL 6845 50.330 5.410 37.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22112 ATOM 22108 HW2 SOL 6845 51.130 5.940 36.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22113 ATOM 22109 OW SOL 6846 41.010 1.630 38.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22114 ATOM 22110 HW1 SOL 6846 41.740 0.990 39.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22115 ATOM 22111 HW2 SOL 6846 40.850 1.600 37.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22116 ATOM 22112 OW SOL 6847 56.360 11.870 51.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22117 ATOM 22113 HW1 SOL 6847 57.250 11.670 52.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22118 ATOM 22114 HW2 SOL 6847 55.790 12.380 52.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22119 ATOM 22115 OW SOL 6848 47.070 13.630 51.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22120 ATOM 22116 HW1 SOL 6848 47.330 14.380 52.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22121 ATOM 22117 HW2 SOL 6848 47.870 13.070 51.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22122 ATOM 22118 OW SOL 6849 53.890 14.540 56.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22123 ATOM 22119 HW1 SOL 6849 54.160 14.230 55.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22124 ATOM 22120 HW2 SOL 6849 53.910 13.770 56.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22125 ATOM 22121 OW SOL 6850 48.360 13.780 48.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22126 ATOM 22122 HW1 SOL 6850 48.640 12.920 48.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22127 ATOM 22123 HW2 SOL 6850 47.980 13.580 47.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22128 ATOM 22124 OW SOL 6851 51.730 10.760 47.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22129 ATOM 22125 HW1 SOL 6851 51.740 11.410 47.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22130 ATOM 22126 HW2 SOL 6851 51.180 11.140 46.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22131 ATOM 22127 OW SOL 6852 45.810 1.500 50.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22132 ATOM 22128 HW1 SOL 6852 45.960 1.020 49.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22133 ATOM 22129 HW2 SOL 6852 46.690 1.680 51.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22134 ATOM 22130 OW SOL 6853 45.630 9.450 56.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22135 ATOM 22131 HW1 SOL 6853 45.310 10.380 56.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22136 ATOM 22132 HW2 SOL 6853 45.920 9.070 55.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22137 ATOM 22133 OW SOL 6854 43.840 8.930 40.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22138 ATOM 22134 HW1 SOL 6854 43.510 9.430 41.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22139 ATOM 22135 HW2 SOL 6854 44.390 8.150 41.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22140 ATOM 22136 OW SOL 6855 40.580 9.030 50.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22141 ATOM 22137 HW1 SOL 6855 41.450 9.030 50.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22142 ATOM 22138 HW2 SOL 6855 40.650 8.420 49.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22143 ATOM 22139 OW SOL 6856 47.900 4.390 49.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22144 ATOM 22140 HW1 SOL 6856 48.570 5.120 49.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22145 ATOM 22141 HW2 SOL 6856 47.360 4.560 48.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22146 ATOM 22142 OW SOL 6857 36.400 18.000 50.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22147 ATOM 22143 HW1 SOL 6857 35.910 18.090 50.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22148 ATOM 22144 HW2 SOL 6857 37.080 17.270 50.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22149 ATOM 22145 OW SOL 6858 40.830 12.720 40.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22150 ATOM 22146 HW1 SOL 6858 41.430 13.270 40.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22151 ATOM 22147 HW2 SOL 6858 39.880 12.870 40.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22152 ATOM 22148 OW SOL 6859 41.340 2.700 44.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22153 ATOM 22149 HW1 SOL 6859 41.640 2.030 45.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22154 ATOM 22150 HW2 SOL 6859 42.090 3.320 44.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22155 ATOM 22151 OW SOL 6860 47.490 10.140 40.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22156 ATOM 22152 HW1 SOL 6860 47.360 9.240 40.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22157 ATOM 22153 HW2 SOL 6860 48.450 10.410 40.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22158 ATOM 22154 OW SOL 6861 50.950 14.930 48.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22159 ATOM 22155 HW1 SOL 6861 51.000 14.800 49.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22160 ATOM 22156 HW2 SOL 6861 50.140 14.480 47.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22161 ATOM 22157 OW SOL 6862 48.910 5.010 41.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22162 ATOM 22158 HW1 SOL 6862 48.130 5.480 41.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22163 ATOM 22159 HW2 SOL 6862 49.690 5.010 41.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22164 ATOM 22160 OW SOL 6863 40.790 13.520 49.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22165 ATOM 22161 HW1 SOL 6863 40.860 13.190 48.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22166 ATOM 22162 HW2 SOL 6863 41.540 14.160 49.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22167 ATOM 22163 OW SOL 6864 42.020 7.270 54.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22168 ATOM 22164 HW1 SOL 6864 42.430 7.750 53.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22169 ATOM 22165 HW2 SOL 6864 42.600 6.500 54.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22170 ATOM 22166 OW SOL 6865 53.700 8.880 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22171 ATOM 22167 HW1 SOL 6865 53.450 9.740 54.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22172 ATOM 22168 HW2 SOL 6865 53.450 8.940 52.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22173 ATOM 22169 OW SOL 6866 47.540 71.400 58.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22174 ATOM 22170 HW1 SOL 6866 47.720 71.120 59.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22175 ATOM 22171 HW2 SOL 6866 47.210 70.610 58.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22176 ATOM 22172 OW SOL 6867 40.270 72.310 54.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22177 ATOM 22173 HW1 SOL 6867 39.910 71.770 55.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22178 ATOM 22174 HW2 SOL 6867 39.550 72.900 54.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22179 ATOM 22175 OW SOL 6868 45.200 8.130 48.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22180 ATOM 22176 HW1 SOL 6868 44.570 8.880 48.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22181 ATOM 22177 HW2 SOL 6868 44.750 7.490 49.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22182 ATOM 22178 OW SOL 6869 48.700 8.280 46.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22183 ATOM 22179 HW1 SOL 6869 47.900 7.710 46.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22184 ATOM 22180 HW2 SOL 6869 49.530 7.720 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22185 ATOM 22181 OW SOL 6870 46.610 2.550 38.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22186 ATOM 22182 HW1 SOL 6870 46.490 1.850 39.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22187 ATOM 22183 HW2 SOL 6870 45.760 3.070 38.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22188 ATOM 22184 OW SOL 6871 40.820 1.270 49.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22189 ATOM 22185 HW1 SOL 6871 40.530 1.960 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22190 ATOM 22186 HW2 SOL 6871 40.820 0.370 49.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22191 ATOM 22187 OW SOL 6872 36.690 11.430 49.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22192 ATOM 22188 HW1 SOL 6872 37.650 11.270 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22193 ATOM 22189 HW2 SOL 6872 36.630 12.210 48.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22194 ATOM 22190 OW SOL 6873 43.120 5.140 44.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22195 ATOM 22191 HW1 SOL 6873 43.850 4.510 44.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22196 ATOM 22192 HW2 SOL 6873 42.550 5.360 43.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22197 ATOM 22193 OW SOL 6874 55.490 9.900 56.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22198 ATOM 22194 HW1 SOL 6874 55.580 9.990 55.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22199 ATOM 22195 HW2 SOL 6874 54.870 9.140 57.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22200 ATOM 22196 OW SOL 6875 40.220 72.210 43.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22201 ATOM 22197 HW1 SOL 6875 39.790 73.110 43.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22202 ATOM 22198 HW2 SOL 6875 39.800 71.740 44.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22203 ATOM 22199 OW SOL 6876 50.870 5.820 39.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22204 ATOM 22200 HW1 SOL 6876 51.560 5.110 39.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22205 ATOM 22201 HW2 SOL 6876 50.040 5.590 39.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22206 ATOM 22202 OW SOL 6877 44.420 8.080 44.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22207 ATOM 22203 HW1 SOL 6877 44.950 7.710 45.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22208 ATOM 22204 HW2 SOL 6877 43.610 8.560 44.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22209 ATOM 22205 OW SOL 6878 47.430 13.870 54.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22210 ATOM 22206 HW1 SOL 6878 46.530 14.280 54.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22211 ATOM 22207 HW2 SOL 6878 47.320 12.890 54.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22212 ATOM 22208 OW SOL 6879 55.150 13.650 53.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22213 ATOM 22209 HW1 SOL 6879 54.830 14.420 53.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22214 ATOM 22210 HW2 SOL 6879 55.900 13.940 54.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22215 ATOM 22211 OW SOL 6880 40.760 9.300 55.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22216 ATOM 22212 HW1 SOL 6880 41.340 9.650 56.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22217 ATOM 22213 HW2 SOL 6880 41.320 8.830 54.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22218 ATOM 22214 OW SOL 6881 49.700 2.870 38.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22219 ATOM 22215 HW1 SOL 6881 49.730 3.050 39.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22220 ATOM 22216 HW2 SOL 6881 48.860 2.370 37.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22221 ATOM 22217 OW SOL 6882 48.620 7.720 36.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22222 ATOM 22218 HW1 SOL 6882 49.220 6.970 36.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22223 ATOM 22219 HW2 SOL 6882 48.950 8.120 35.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22224 ATOM 22220 OW SOL 6883 47.640 13.440 45.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22225 ATOM 22221 HW1 SOL 6883 47.900 12.480 45.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22226 ATOM 22222 HW2 SOL 6883 48.400 13.940 45.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22227 ATOM 22223 OW SOL 6884 39.630 8.060 45.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22228 ATOM 22224 HW1 SOL 6884 38.780 7.930 46.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22229 ATOM 22225 HW2 SOL 6884 40.280 7.340 45.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22230 ATOM 22226 OW SOL 6885 39.950 4.590 45.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22231 ATOM 22227 HW1 SOL 6885 39.640 4.070 46.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22232 ATOM 22228 HW2 SOL 6885 40.530 4.010 45.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22233 ATOM 22229 OW SOL 6886 49.980 3.010 53.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22234 ATOM 22230 HW1 SOL 6886 49.900 2.750 54.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22235 ATOM 22231 HW2 SOL 6886 50.110 4.000 53.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22236 ATOM 22232 OW SOL 6887 48.610 2.330 51.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22237 ATOM 22233 HW1 SOL 6887 48.740 2.430 52.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22238 ATOM 22234 HW2 SOL 6887 48.270 3.190 50.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22239 ATOM 22235 OW SOL 6888 38.830 11.060 37.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22240 ATOM 22236 HW1 SOL 6888 38.500 11.780 38.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22241 ATOM 22237 HW2 SOL 6888 38.530 10.170 38.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22242 ATOM 22238 OW SOL 6889 42.230 13.390 44.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22243 ATOM 22239 HW1 SOL 6889 42.370 14.360 44.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22244 ATOM 22240 HW2 SOL 6889 43.110 12.980 44.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22245 ATOM 22241 OW SOL 6890 46.330 7.090 46.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22246 ATOM 22242 HW1 SOL 6890 45.920 7.790 46.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22247 ATOM 22243 HW2 SOL 6890 46.290 6.200 46.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22248 ATOM 22244 OW SOL 6891 36.930 5.200 47.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22249 ATOM 22245 HW1 SOL 6891 37.550 4.410 47.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22250 ATOM 22246 HW2 SOL 6891 37.250 5.820 48.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22251 ATOM 22247 OW SOL 6892 39.480 6.560 52.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22252 ATOM 22248 HW1 SOL 6892 40.280 7.110 52.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22253 ATOM 22249 HW2 SOL 6892 39.700 6.000 51.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22254 ATOM 22250 OW SOL 6893 49.470 9.080 53.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22255 ATOM 22251 HW1 SOL 6893 49.900 9.970 53.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22256 ATOM 22252 HW2 SOL 6893 49.480 8.830 52.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22257 ATOM 22253 OW SOL 6894 43.660 3.290 38.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22258 ATOM 22254 HW1 SOL 6894 43.600 2.290 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22259 ATOM 22255 HW2 SOL 6894 42.750 3.680 38.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22260 ATOM 22256 OW SOL 6895 52.920 5.330 47.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22261 ATOM 22257 HW1 SOL 6895 53.220 5.010 48.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22262 ATOM 22258 HW2 SOL 6895 53.680 5.280 46.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22263 ATOM 22259 OW SOL 6896 38.700 14.270 54.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22264 ATOM 22260 HW1 SOL 6896 39.500 13.820 54.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22265 ATOM 22261 HW2 SOL 6896 38.060 13.580 54.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22266 ATOM 22262 OW SOL 6897 43.470 4.580 47.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22267 ATOM 22263 HW1 SOL 6897 43.240 3.610 47.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22268 ATOM 22264 HW2 SOL 6897 43.300 4.890 46.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22269 ATOM 22265 OW SOL 6898 45.130 16.440 51.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22270 ATOM 22266 HW1 SOL 6898 45.060 16.070 51.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22271 ATOM 22267 HW2 SOL 6898 45.720 17.240 51.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22272 ATOM 22268 OW SOL 6899 41.540 4.790 38.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22273 ATOM 22269 HW1 SOL 6899 41.590 5.610 39.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22274 ATOM 22270 HW2 SOL 6899 40.600 4.640 38.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22275 ATOM 22271 OW SOL 6900 37.940 11.880 52.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22276 ATOM 22272 HW1 SOL 6900 38.100 10.930 52.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22277 ATOM 22273 HW2 SOL 6900 38.400 12.070 51.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22278 ATOM 22274 OW SOL 6901 47.600 9.210 48.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22279 ATOM 22275 HW1 SOL 6901 46.610 9.080 48.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22280 ATOM 22276 HW2 SOL 6901 47.950 8.970 48.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22281 ATOM 22277 OW SOL 6902 50.590 8.490 38.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22282 ATOM 22278 HW1 SOL 6902 50.550 7.560 38.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22283 ATOM 22279 HW2 SOL 6902 49.930 8.580 37.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22284 ATOM 22280 OW SOL 6903 54.880 18.400 48.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22285 ATOM 22281 HW1 SOL 6903 55.600 18.980 49.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22286 ATOM 22282 HW2 SOL 6903 54.590 18.770 47.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22287 ATOM 22283 OW SOL 6904 48.760 16.150 49.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22288 ATOM 22284 HW1 SOL 6904 49.220 16.880 49.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22289 ATOM 22285 HW2 SOL 6904 48.400 15.470 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22290 ATOM 22286 OW SOL 6905 37.480 12.360 45.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22291 ATOM 22287 HW1 SOL 6905 36.620 12.360 45.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22292 ATOM 22288 HW2 SOL 6905 37.380 12.910 46.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22293 ATOM 22289 OW SOL 6906 41.990 16.520 54.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22294 ATOM 22290 HW1 SOL 6906 41.390 17.310 54.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22295 ATOM 22291 HW2 SOL 6906 42.060 16.230 53.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22296 ATOM 22292 OW SOL 6907 55.190 1.900 40.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22297 ATOM 22293 HW1 SOL 6907 55.670 2.470 40.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22298 ATOM 22294 HW2 SOL 6907 55.130 0.960 40.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22299 ATOM 22295 OW SOL 6908 49.780 13.250 40.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22300 ATOM 22296 HW1 SOL 6908 49.810 13.840 40.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22301 ATOM 22297 HW2 SOL 6908 49.590 12.310 40.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22302 ATOM 22298 OW SOL 6909 36.800 16.990 57.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22303 ATOM 22299 HW1 SOL 6909 36.490 16.170 57.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22304 ATOM 22300 HW2 SOL 6909 37.420 17.510 57.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22305 ATOM 22301 OW SOL 6910 47.800 7.160 42.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22306 ATOM 22302 HW1 SOL 6910 48.780 7.150 42.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22307 ATOM 22303 HW2 SOL 6910 47.440 8.070 42.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22308 ATOM 22304 OW SOL 6911 44.670 12.470 51.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22309 ATOM 22305 HW1 SOL 6911 45.310 13.180 51.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22310 ATOM 22306 HW2 SOL 6911 44.130 12.790 52.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22311 ATOM 22307 OW SOL 6912 53.880 15.620 51.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22312 ATOM 22308 HW1 SOL 6912 54.540 15.900 51.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22313 ATOM 22309 HW2 SOL 6912 53.440 16.430 52.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22314 ATOM 22310 OW SOL 6913 54.520 2.310 44.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22315 ATOM 22311 HW1 SOL 6913 54.480 1.310 44.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22316 ATOM 22312 HW2 SOL 6913 54.100 2.570 45.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22317 ATOM 22313 OW SOL 6914 39.280 2.220 42.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22318 ATOM 22314 HW1 SOL 6914 38.470 2.790 42.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22319 ATOM 22315 HW2 SOL 6914 40.000 2.520 43.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22320 ATOM 22316 OW SOL 6915 49.410 14.990 38.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22321 ATOM 22317 HW1 SOL 6915 49.120 14.140 38.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22322 ATOM 22318 HW2 SOL 6915 48.620 15.590 38.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22323 ATOM 22319 OW SOL 6916 44.800 9.630 51.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22324 ATOM 22320 HW1 SOL 6916 45.340 9.580 50.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22325 ATOM 22321 HW2 SOL 6916 44.740 10.590 51.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22326 ATOM 22322 OW SOL 6917 46.790 7.760 39.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22327 ATOM 22323 HW1 SOL 6917 46.360 8.030 38.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22328 ATOM 22324 HW2 SOL 6917 46.780 6.770 39.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22329 ATOM 22325 OW SOL 6918 51.540 16.680 37.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22330 ATOM 22326 HW1 SOL 6918 50.890 16.020 38.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22331 ATOM 22327 HW2 SOL 6918 52.220 16.200 37.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22332 ATOM 22328 OW SOL 6919 41.760 15.360 52.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22333 ATOM 22329 HW1 SOL 6919 40.940 15.910 52.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22334 ATOM 22330 HW2 SOL 6919 42.300 15.380 51.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22335 ATOM 22331 OW SOL 6920 52.690 12.370 49.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22336 ATOM 22332 HW1 SOL 6920 53.680 12.460 49.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22337 ATOM 22333 HW2 SOL 6920 52.310 12.940 50.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22338 ATOM 22334 OW SOL 6921 47.970 10.760 45.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22339 ATOM 22335 HW1 SOL 6921 47.410 10.550 44.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22340 ATOM 22336 HW2 SOL 6921 48.280 9.900 45.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22341 ATOM 22337 OW SOL 6922 46.190 1.440 46.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22342 ATOM 22338 HW1 SOL 6922 46.930 0.920 46.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22343 ATOM 22339 HW2 SOL 6922 45.800 0.920 47.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22344 ATOM 22340 OW SOL 6923 54.650 4.380 49.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22345 ATOM 22341 HW1 SOL 6923 55.470 4.960 49.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22346 ATOM 22342 HW2 SOL 6923 54.900 3.450 49.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22347 ATOM 22343 OW SOL 6924 42.170 13.640 38.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22348 ATOM 22344 HW1 SOL 6924 42.960 13.940 38.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22349 ATOM 22345 HW2 SOL 6924 42.090 12.650 38.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22350 ATOM 22346 OW SOL 6925 38.330 9.120 53.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22351 ATOM 22347 HW1 SOL 6925 37.680 9.130 54.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22352 ATOM 22348 HW2 SOL 6925 39.260 9.170 53.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22353 ATOM 22349 OW SOL 6926 45.490 4.280 52.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22354 ATOM 22350 HW1 SOL 6926 45.430 3.280 52.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22355 ATOM 22351 HW2 SOL 6926 44.770 4.710 53.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22356 ATOM 22352 OW SOL 6927 35.520 1.900 37.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22357 ATOM 22353 HW1 SOL 6927 34.850 1.470 36.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22358 ATOM 22354 HW2 SOL 6927 35.620 2.870 36.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22359 ATOM 22355 OW SOL 6928 49.930 8.790 50.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22360 ATOM 22356 HW1 SOL 6928 49.140 8.820 49.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22361 ATOM 22357 HW2 SOL 6928 50.770 8.780 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22362 ATOM 22358 OW SOL 6929 35.970 1.190 39.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22363 ATOM 22359 HW1 SOL 6929 35.810 1.500 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22364 ATOM 22360 HW2 SOL 6929 36.940 0.950 39.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22365 ATOM 22361 OW SOL 6930 48.800 12.590 37.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22366 ATOM 22362 HW1 SOL 6930 49.720 12.260 37.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22367 ATOM 22363 HW2 SOL 6930 48.310 11.890 38.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22368 ATOM 22364 OW SOL 6931 43.000 7.730 51.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22369 ATOM 22365 HW1 SOL 6931 43.570 8.540 51.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22370 ATOM 22366 HW2 SOL 6931 43.450 7.140 50.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22371 ATOM 22367 OW SOL 6932 51.290 17.700 48.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22372 ATOM 22368 HW1 SOL 6932 51.920 18.180 47.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22373 ATOM 22369 HW2 SOL 6932 51.250 16.740 47.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22374 ATOM 22370 OW SOL 6933 43.740 5.140 54.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22375 ATOM 22371 HW1 SOL 6933 44.180 5.820 55.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22376 ATOM 22372 HW2 SOL 6933 44.040 4.230 55.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22377 ATOM 22373 OW SOL 6934 50.220 11.650 54.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22378 ATOM 22374 HW1 SOL 6934 51.210 11.500 54.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22379 ATOM 22375 HW2 SOL 6934 50.030 12.630 54.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22380 ATOM 22376 OW SOL 6935 38.150 16.830 54.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22381 ATOM 22377 HW1 SOL 6935 37.660 16.940 55.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22382 ATOM 22378 HW2 SOL 6935 38.480 15.890 54.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22383 ATOM 22379 OW SOL 6936 52.020 8.630 48.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22384 ATOM 22380 HW1 SOL 6936 52.540 7.930 48.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22385 ATOM 22381 HW2 SOL 6936 51.890 9.420 48.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22386 ATOM 22382 OW SOL 6937 48.600 2.440 42.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22387 ATOM 22383 HW1 SOL 6937 49.030 2.950 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22388 ATOM 22384 HW2 SOL 6937 47.790 2.940 43.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22389 ATOM 22385 OW SOL 6938 42.520 9.650 45.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22390 ATOM 22386 HW1 SOL 6938 42.630 10.110 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22391 ATOM 22387 HW2 SOL 6938 41.590 9.300 45.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22392 ATOM 22388 OW SOL 6939 53.380 4.970 51.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22393 ATOM 22389 HW1 SOL 6939 53.990 5.190 51.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22394 ATOM 22390 HW2 SOL 6939 53.550 4.040 52.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22395 ATOM 22391 OW SOL 6940 53.160 9.770 51.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22396 ATOM 22392 HW1 SOL 6940 52.940 10.740 51.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22397 ATOM 22393 HW2 SOL 6940 52.680 9.310 50.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22398 ATOM 22394 OW SOL 6941 44.320 10.900 39.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22399 ATOM 22395 HW1 SOL 6941 44.220 10.130 39.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22400 ATOM 22396 HW2 SOL 6941 43.760 10.730 38.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22401 ATOM 22397 OW SOL 6942 42.800 16.100 45.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22402 ATOM 22398 HW1 SOL 6942 42.950 16.150 46.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22403 ATOM 22399 HW2 SOL 6942 43.380 16.780 44.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22404 ATOM 22400 OW SOL 6943 46.540 9.910 43.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22405 ATOM 22401 HW1 SOL 6943 45.660 9.440 43.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22406 ATOM 22402 HW2 SOL 6943 46.810 10.000 42.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22407 ATOM 22403 OW SOL 6944 45.910 8.100 36.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22408 ATOM 22404 HW1 SOL 6944 45.770 9.090 36.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22409 ATOM 22405 HW2 SOL 6944 46.880 7.910 36.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22410 ATOM 22406 OW SOL 6945 53.930 16.670 44.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22411 ATOM 22407 HW1 SOL 6945 54.250 16.440 43.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22412 ATOM 22408 HW2 SOL 6945 53.830 15.830 45.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22413 ATOM 22409 OW SOL 6946 40.670 12.280 55.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22414 ATOM 22410 HW1 SOL 6946 40.220 11.450 54.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22415 ATOM 22411 HW2 SOL 6946 40.130 12.700 56.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22416 ATOM 22412 OW SOL 6947 36.470 10.990 42.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22417 ATOM 22413 HW1 SOL 6947 35.960 10.220 43.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22418 ATOM 22414 HW2 SOL 6947 37.410 10.710 42.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22419 ATOM 22415 OW SOL 6948 44.830 15.120 54.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22420 ATOM 22416 HW1 SOL 6948 44.150 14.380 54.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22421 ATOM 22417 HW2 SOL 6948 44.710 15.740 53.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22422 ATOM 22418 OW SOL 6949 54.090 1.670 49.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22423 ATOM 22419 HW1 SOL 6949 54.860 1.100 49.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22424 ATOM 22420 HW2 SOL 6949 53.440 1.750 48.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22425 ATOM 22421 OW SOL 6950 42.180 2.770 41.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22426 ATOM 22422 HW1 SOL 6950 41.640 2.610 40.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22427 ATOM 22423 HW2 SOL 6950 42.770 1.990 41.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22428 ATOM 22424 OW SOL 6951 53.570 15.120 46.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22429 ATOM 22425 HW1 SOL 6951 52.650 15.080 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22430 ATOM 22426 HW2 SOL 6951 54.230 15.350 47.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22431 ATOM 22427 OW SOL 6952 40.510 6.390 48.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22432 ATOM 22428 HW1 SOL 6952 41.000 5.900 49.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22433 ATOM 22429 HW2 SOL 6952 40.230 5.740 47.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22434 ATOM 22430 OW SOL 6953 47.230 14.620 41.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22435 ATOM 22431 HW1 SOL 6953 46.760 13.940 41.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22436 ATOM 22432 HW2 SOL 6953 48.080 14.230 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22437 ATOM 22433 OW SOL 6954 49.830 1.490 48.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22438 ATOM 22434 HW1 SOL 6954 49.230 0.830 48.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22439 ATOM 22435 HW2 SOL 6954 49.430 1.770 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22440 ATOM 22436 OW SOL 6955 46.140 72.140 48.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22441 ATOM 22437 HW1 SOL 6955 45.800 71.370 49.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22442 ATOM 22438 HW2 SOL 6955 47.060 71.940 48.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22443 ATOM 22439 OW SOL 6956 41.550 11.010 37.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22444 ATOM 22440 HW1 SOL 6956 41.920 10.090 37.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22445 ATOM 22441 HW2 SOL 6956 40.570 10.960 37.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22446 ATOM 22442 OW SOL 6957 42.810 15.190 49.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22447 ATOM 22443 HW1 SOL 6957 42.610 15.900 49.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22448 ATOM 22444 HW2 SOL 6957 43.800 15.080 49.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22449 ATOM 22445 OW SOL 6958 49.470 0.100 41.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22450 ATOM 22446 HW1 SOL 6958 50.120 0.830 41.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22451 ATOM 22447 HW2 SOL 6958 48.870 0.400 42.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22452 ATOM 22448 OW SOL 6959 47.090 4.470 44.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22453 ATOM 22449 HW1 SOL 6959 46.950 5.460 44.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22454 ATOM 22450 HW2 SOL 6959 46.270 4.040 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22455 ATOM 22451 OW SOL 6960 52.120 2.650 47.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22456 ATOM 22452 HW1 SOL 6960 51.350 2.610 48.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22457 ATOM 22453 HW2 SOL 6960 52.150 3.550 47.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22458 ATOM 22454 OW SOL 6961 40.340 7.460 37.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22459 ATOM 22455 HW1 SOL 6961 39.670 6.750 37.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22460 ATOM 22456 HW2 SOL 6961 41.090 7.410 38.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22461 ATOM 22457 OW SOL 6962 38.940 7.410 56.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22462 ATOM 22458 HW1 SOL 6962 38.410 6.920 56.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22463 ATOM 22459 HW2 SOL 6962 39.520 8.090 56.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22464 ATOM 22460 OW SOL 6963 35.920 4.560 64.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22465 ATOM 22461 HW1 SOL 6963 35.790 3.630 65.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22466 ATOM 22462 HW2 SOL 6963 35.270 4.730 64.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22467 ATOM 22463 OW SOL 6964 35.670 3.370 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22468 ATOM 22464 HW1 SOL 6964 35.320 4.000 61.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22469 ATOM 22465 HW2 SOL 6964 35.100 2.550 60.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22470 ATOM 22466 OW SOL 6965 42.410 11.630 67.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22471 ATOM 22467 HW1 SOL 6965 42.340 12.570 67.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22472 ATOM 22468 HW2 SOL 6965 41.620 11.420 68.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22473 ATOM 22469 OW SOL 6966 52.870 13.880 62.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22474 ATOM 22470 HW1 SOL 6966 52.330 13.880 63.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22475 ATOM 22471 HW2 SOL 6966 52.270 14.000 62.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22476 ATOM 22472 OW SOL 6967 48.740 6.010 62.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22477 ATOM 22473 HW1 SOL 6967 49.430 6.680 62.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22478 ATOM 22474 HW2 SOL 6967 49.020 5.590 63.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22479 ATOM 22475 OW SOL 6968 54.790 7.020 56.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22480 ATOM 22476 HW1 SOL 6968 55.130 6.720 55.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22481 ATOM 22477 HW2 SOL 6968 55.090 6.370 57.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22482 ATOM 22478 OW SOL 6969 44.150 10.010 65.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22483 ATOM 22479 HW1 SOL 6969 43.400 10.590 66.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22484 ATOM 22480 HW2 SOL 6969 44.630 10.470 65.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22485 ATOM 22481 OW SOL 6970 43.970 9.070 0.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22486 ATOM 22482 HW1 SOL 6970 43.930 10.070 0.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22487 ATOM 22483 HW2 SOL 6970 44.320 8.710 0.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22488 ATOM 22484 OW SOL 6971 41.770 8.760 61.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22489 ATOM 22485 HW1 SOL 6971 42.100 8.440 62.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22490 ATOM 22486 HW2 SOL 6971 40.970 9.350 61.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22491 ATOM 22487 OW SOL 6972 40.100 14.350 66.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22492 ATOM 22488 HW1 SOL 6972 39.190 13.960 66.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22493 ATOM 22489 HW2 SOL 6972 40.780 13.840 66.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22494 ATOM 22490 OW SOL 6973 51.640 14.030 68.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22495 ATOM 22491 HW1 SOL 6973 52.400 14.110 69.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22496 ATOM 22492 HW2 SOL 6973 50.980 13.370 69.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22497 ATOM 22493 OW SOL 6974 41.320 3.220 69.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22498 ATOM 22494 HW1 SOL 6974 42.230 2.830 69.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22499 ATOM 22495 HW2 SOL 6974 41.060 3.690 70.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22500 ATOM 22496 OW SOL 6975 53.690 2.500 64.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22501 ATOM 22497 HW1 SOL 6975 53.070 2.640 63.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22502 ATOM 22498 HW2 SOL 6975 54.440 3.150 64.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22503 ATOM 22499 OW SOL 6976 40.180 14.660 62.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22504 ATOM 22500 HW1 SOL 6976 40.000 15.410 63.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22505 ATOM 22501 HW2 SOL 6976 41.100 14.760 62.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22506 ATOM 22502 OW SOL 6977 39.440 12.880 60.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22507 ATOM 22503 HW1 SOL 6977 39.680 13.610 61.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22508 ATOM 22504 HW2 SOL 6977 38.450 12.760 60.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22509 ATOM 22505 OW SOL 6978 37.420 10.750 63.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22510 ATOM 22506 HW1 SOL 6978 37.330 9.820 63.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22511 ATOM 22507 HW2 SOL 6978 36.710 11.340 63.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22512 ATOM 22508 OW SOL 6979 43.380 19.240 69.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22513 ATOM 22509 HW1 SOL 6979 43.190 18.660 70.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22514 ATOM 22510 HW2 SOL 6979 44.180 19.810 70.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22515 ATOM 22511 OW SOL 6980 42.580 10.370 57.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22516 ATOM 22512 HW1 SOL 6980 43.280 10.620 56.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22517 ATOM 22513 HW2 SOL 6980 43.030 10.070 58.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22518 ATOM 22514 OW SOL 6981 52.410 69.930 69.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22519 ATOM 22515 HW1 SOL 6981 52.000 70.730 68.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22520 ATOM 22516 HW2 SOL 6981 52.330 70.030 70.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22521 ATOM 22517 OW SOL 6982 35.910 5.980 59.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22522 ATOM 22518 HW1 SOL 6982 35.840 4.980 59.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22523 ATOM 22519 HW2 SOL 6982 36.840 6.240 59.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22524 ATOM 22520 OW SOL 6983 56.950 15.960 60.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22525 ATOM 22521 HW1 SOL 6983 57.940 16.070 60.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22526 ATOM 22522 HW2 SOL 6983 56.580 16.150 61.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22527 ATOM 22523 OW SOL 6984 36.340 14.320 57.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22528 ATOM 22524 HW1 SOL 6984 35.650 13.980 57.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22529 ATOM 22525 HW2 SOL 6984 35.990 14.250 58.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22530 ATOM 22526 OW SOL 6985 52.460 5.750 62.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22531 ATOM 22527 HW1 SOL 6985 53.290 6.040 62.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22532 ATOM 22528 HW2 SOL 6985 52.670 5.610 61.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22533 ATOM 22529 OW SOL 6986 56.160 8.080 61.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22534 ATOM 22530 HW1 SOL 6986 56.200 8.700 60.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22535 ATOM 22531 HW2 SOL 6986 57.020 8.120 61.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22536 ATOM 22532 OW SOL 6987 38.610 6.690 71.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22537 ATOM 22533 HW1 SOL 6987 39.540 7.010 71.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22538 ATOM 22534 HW2 SOL 6987 38.100 7.400 71.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22539 ATOM 22535 OW SOL 6988 42.590 11.550 62.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22540 ATOM 22536 HW1 SOL 6988 41.810 10.920 62.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22541 ATOM 22537 HW2 SOL 6988 42.580 12.190 61.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22542 ATOM 22538 OW SOL 6989 47.420 10.290 69.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22543 ATOM 22539 HW1 SOL 6989 48.020 9.840 68.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22544 ATOM 22540 HW2 SOL 6989 47.870 10.310 70.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22545 ATOM 22541 OW SOL 6990 44.300 1.190 61.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22546 ATOM 22542 HW1 SOL 6990 44.310 2.080 60.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22547 ATOM 22543 HW2 SOL 6990 43.360 0.940 61.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22548 ATOM 22544 OW SOL 6991 38.780 10.170 67.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22549 ATOM 22545 HW1 SOL 6991 39.560 9.840 67.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22550 ATOM 22546 HW2 SOL 6991 38.020 9.520 67.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22551 ATOM 22547 OW SOL 6992 52.130 9.250 58.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22552 ATOM 22548 HW1 SOL 6992 51.640 9.660 58.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22553 ATOM 22549 HW2 SOL 6992 52.810 9.900 59.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22554 ATOM 22550 OW SOL 6993 50.980 16.800 70.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22555 ATOM 22551 HW1 SOL 6993 51.270 17.660 70.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22556 ATOM 22552 HW2 SOL 6993 51.070 16.070 70.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22557 ATOM 22553 OW SOL 6994 36.430 3.290 2.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22558 ATOM 22554 HW1 SOL 6994 37.340 3.680 2.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22559 ATOM 22555 HW2 SOL 6994 35.900 3.390 1.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22560 ATOM 22556 OW SOL 6995 50.940 14.470 64.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22561 ATOM 22557 HW1 SOL 6995 50.560 15.090 65.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22562 ATOM 22558 HW2 SOL 6995 51.270 13.640 65.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22563 ATOM 22559 OW SOL 6996 54.360 19.030 61.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22564 ATOM 22560 HW1 SOL 6996 54.410 18.080 61.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22565 ATOM 22561 HW2 SOL 6996 55.050 19.200 62.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22566 ATOM 22562 OW SOL 6997 44.190 7.160 56.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22567 ATOM 22563 HW1 SOL 6997 44.750 7.980 56.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22568 ATOM 22564 HW2 SOL 6997 43.580 7.320 57.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22569 ATOM 22565 OW SOL 6998 49.430 4.570 64.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22570 ATOM 22566 HW1 SOL 6998 49.080 4.720 65.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22571 ATOM 22567 HW2 SOL 6998 50.420 4.440 64.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22572 ATOM 22568 OW SOL 6999 54.190 16.400 61.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22573 ATOM 22569 HW1 SOL 6999 54.870 15.950 60.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22574 ATOM 22570 HW2 SOL 6999 53.370 15.830 61.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22575 ATOM 22571 OW SOL 7000 43.000 5.860 68.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22576 ATOM 22572 HW1 SOL 7000 42.260 6.380 67.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22577 ATOM 22573 HW2 SOL 7000 43.200 5.050 67.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22578 ATOM 22574 OW SOL 7001 44.940 8.490 70.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22579 ATOM 22575 HW1 SOL 7001 44.190 7.830 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22580 ATOM 22576 HW2 SOL 7001 45.040 8.960 70.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22581 ATOM 22577 OW SOL 7002 46.390 6.590 67.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22582 ATOM 22578 HW1 SOL 7002 45.950 7.180 68.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22583 ATOM 22579 HW2 SOL 7002 45.990 5.680 67.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22584 ATOM 22580 OW SOL 7003 48.810 5.130 59.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22585 ATOM 22581 HW1 SOL 7003 48.730 5.460 60.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22586 ATOM 22582 HW2 SOL 7003 48.430 4.210 59.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22587 ATOM 22583 OW SOL 7004 38.080 7.000 61.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22588 ATOM 22584 HW1 SOL 7004 38.550 6.120 61.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22589 ATOM 22585 HW2 SOL 7004 38.510 7.650 60.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22590 ATOM 22586 OW SOL 7005 38.580 18.210 70.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22591 ATOM 22587 HW1 SOL 7005 38.940 19.030 70.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22592 ATOM 22588 HW2 SOL 7005 38.480 18.380 71.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22593 ATOM 22589 OW SOL 7006 46.940 1.520 57.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22594 ATOM 22590 HW1 SOL 7006 47.610 1.760 56.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22595 ATOM 22591 HW2 SOL 7006 47.270 0.740 57.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22596 ATOM 22592 OW SOL 7007 53.250 11.890 60.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22597 ATOM 22593 HW1 SOL 7007 53.830 12.350 60.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22598 ATOM 22594 HW2 SOL 7007 52.290 11.930 60.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22599 ATOM 22595 OW SOL 7008 39.810 2.300 64.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22600 ATOM 22596 HW1 SOL 7008 40.380 2.280 65.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22601 ATOM 22597 HW2 SOL 7008 39.930 3.180 64.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22602 ATOM 22598 OW SOL 7009 48.560 14.340 60.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22603 ATOM 22599 HW1 SOL 7009 48.060 15.110 59.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22604 ATOM 22600 HW2 SOL 7009 48.640 14.450 61.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22605 ATOM 22601 OW SOL 7010 40.380 16.550 64.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22606 ATOM 22602 HW1 SOL 7010 40.010 16.190 65.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22607 ATOM 22603 HW2 SOL 7010 41.370 16.430 64.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22608 ATOM 22604 OW SOL 7011 54.630 11.060 64.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22609 ATOM 22605 HW1 SOL 7011 54.920 11.230 63.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22610 ATOM 22606 HW2 SOL 7011 53.800 11.580 64.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22611 ATOM 22607 OW SOL 7012 49.440 13.060 70.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22612 ATOM 22608 HW1 SOL 7012 49.290 12.310 70.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22613 ATOM 22609 HW2 SOL 7012 48.600 13.210 69.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22614 ATOM 22610 OW SOL 7013 39.340 8.410 59.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22615 ATOM 22611 HW1 SOL 7013 38.910 8.140 58.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22616 ATOM 22612 HW2 SOL 7013 40.330 8.380 59.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22617 ATOM 22613 OW SOL 7014 50.930 8.320 61.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22618 ATOM 22614 HW1 SOL 7014 51.460 7.510 61.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22619 ATOM 22615 HW2 SOL 7014 51.320 8.710 60.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22620 ATOM 22616 OW SOL 7015 40.690 12.540 0.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22621 ATOM 22617 HW1 SOL 7015 40.280 13.340 -0.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22622 ATOM 22618 HW2 SOL 7015 40.340 11.710 -0.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22623 ATOM 22619 OW SOL 7016 47.940 16.320 58.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22624 ATOM 22620 HW1 SOL 7016 46.980 16.250 58.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22625 ATOM 22621 HW2 SOL 7016 48.150 15.580 57.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22626 ATOM 22622 OW SOL 7017 38.910 1.580 68.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22627 ATOM 22623 HW1 SOL 7017 39.580 2.190 69.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22628 ATOM 22624 HW2 SOL 7017 38.200 1.340 69.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22629 ATOM 22625 OW SOL 7018 54.050 12.120 57.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22630 ATOM 22626 HW1 SOL 7018 53.560 12.170 58.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22631 ATOM 22627 HW2 SOL 7018 54.820 11.490 57.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22632 ATOM 22628 OW SOL 7019 42.210 17.840 58.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22633 ATOM 22629 HW1 SOL 7019 42.380 18.780 58.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22634 ATOM 22630 HW2 SOL 7019 42.640 17.220 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22635 ATOM 22631 OW SOL 7020 50.230 2.130 58.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22636 ATOM 22632 HW1 SOL 7020 50.090 1.260 57.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22637 ATOM 22633 HW2 SOL 7020 51.030 2.060 58.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22638 ATOM 22634 OW SOL 7021 38.190 16.680 67.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22639 ATOM 22635 HW1 SOL 7021 38.370 16.090 67.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22640 ATOM 22636 HW2 SOL 7021 37.580 16.210 66.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22641 ATOM 22637 OW SOL 7022 47.160 17.590 64.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22642 ATOM 22638 HW1 SOL 7022 47.780 17.820 64.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22643 ATOM 22639 HW2 SOL 7022 46.770 16.680 64.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22644 ATOM 22640 OW SOL 7023 40.460 5.060 58.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22645 ATOM 22641 HW1 SOL 7023 40.330 4.120 57.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22646 ATOM 22642 HW2 SOL 7023 39.920 5.690 57.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22647 ATOM 22643 OW SOL 7024 42.430 1.130 56.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22648 ATOM 22644 HW1 SOL 7024 42.860 0.630 57.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22649 ATOM 22645 HW2 SOL 7024 42.170 0.490 56.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22650 ATOM 22646 OW SOL 7025 44.960 1.680 72.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22651 ATOM 22647 HW1 SOL 7025 45.240 2.630 72.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22652 ATOM 22648 HW2 SOL 7025 45.520 1.240 73.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22653 ATOM 22649 OW SOL 7026 46.570 15.420 67.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22654 ATOM 22650 HW1 SOL 7026 46.680 15.400 66.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22655 ATOM 22651 HW2 SOL 7026 46.440 14.490 67.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22656 ATOM 22652 OW SOL 7027 51.090 6.380 69.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22657 ATOM 22653 HW1 SOL 7027 51.210 5.610 69.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22658 ATOM 22654 HW2 SOL 7027 51.800 7.070 69.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22659 ATOM 22655 OW SOL 7028 46.120 15.070 64.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22660 ATOM 22656 HW1 SOL 7028 46.470 14.190 65.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22661 ATOM 22657 HW2 SOL 7028 45.120 15.030 64.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22662 ATOM 22658 OW SOL 7029 46.220 2.900 63.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22663 ATOM 22659 HW1 SOL 7029 45.850 3.230 62.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22664 ATOM 22660 HW2 SOL 7029 46.150 3.630 63.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22665 ATOM 22661 OW SOL 7030 41.710 0.380 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22666 ATOM 22662 HW1 SOL 7030 41.360 0.020 62.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22667 ATOM 22663 HW2 SOL 7030 41.700 -0.350 60.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22668 ATOM 22664 OW SOL 7031 52.600 10.800 55.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22669 ATOM 22665 HW1 SOL 7031 51.820 10.530 56.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22670 ATOM 22666 HW2 SOL 7031 53.310 11.180 56.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22671 ATOM 22667 OW SOL 7032 37.900 1.990 57.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22672 ATOM 22668 HW1 SOL 7032 37.280 2.320 56.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22673 ATOM 22669 HW2 SOL 7032 38.850 2.180 57.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22674 ATOM 22670 OW SOL 7033 45.720 3.420 60.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22675 ATOM 22671 HW1 SOL 7033 45.430 3.780 59.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22676 ATOM 22672 HW2 SOL 7033 46.530 2.850 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22677 ATOM 22673 OW SOL 7034 43.000 6.320 71.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22678 ATOM 22674 HW1 SOL 7034 43.270 6.120 70.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22679 ATOM 22675 HW2 SOL 7034 42.320 5.650 71.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22680 ATOM 22676 OW SOL 7035 49.480 14.470 62.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22681 ATOM 22677 HW1 SOL 7035 49.310 15.450 62.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22682 ATOM 22678 HW2 SOL 7035 50.100 14.290 63.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22683 ATOM 22679 OW SOL 7036 39.990 10.780 62.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22684 ATOM 22680 HW1 SOL 7036 39.090 10.810 62.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22685 ATOM 22681 HW2 SOL 7036 40.010 11.410 61.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22686 ATOM 22682 OW SOL 7037 49.230 17.020 62.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22687 ATOM 22683 HW1 SOL 7037 49.810 17.830 62.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22688 ATOM 22684 HW2 SOL 7037 48.280 17.260 62.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22689 ATOM 22685 OW SOL 7038 48.800 3.110 56.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22690 ATOM 22686 HW1 SOL 7038 48.830 4.110 56.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22691 ATOM 22687 HW2 SOL 7038 49.220 2.690 56.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22692 ATOM 22688 OW SOL 7039 37.650 5.200 69.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22693 ATOM 22689 HW1 SOL 7039 38.400 5.450 68.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22694 ATOM 22690 HW2 SOL 7039 37.830 5.560 70.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22695 ATOM 22691 OW SOL 7040 41.090 1.600 66.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22696 ATOM 22692 HW1 SOL 7040 40.910 0.610 66.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22697 ATOM 22693 HW2 SOL 7040 41.070 1.980 67.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22698 ATOM 22694 OW SOL 7041 44.230 5.360 61.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22699 ATOM 22695 HW1 SOL 7041 44.220 6.210 61.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22700 ATOM 22696 HW2 SOL 7041 44.980 4.780 61.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22701 ATOM 22697 OW SOL 7042 46.960 0.350 61.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22702 ATOM 22698 HW1 SOL 7042 47.390 1.120 60.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22703 ATOM 22699 HW2 SOL 7042 45.970 0.500 61.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22704 ATOM 22700 OW SOL 7043 50.970 10.620 63.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22705 ATOM 22701 HW1 SOL 7043 50.680 9.670 63.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22706 ATOM 22702 HW2 SOL 7043 50.770 10.950 62.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22707 ATOM 22703 OW SOL 7044 50.440 7.580 65.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22708 ATOM 22704 HW1 SOL 7044 50.180 6.670 65.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22709 ATOM 22705 HW2 SOL 7044 51.410 7.740 65.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22710 ATOM 22706 OW SOL 7045 52.840 6.710 59.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22711 ATOM 22707 HW1 SOL 7045 52.190 6.100 58.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22712 ATOM 22708 HW2 SOL 7045 52.610 7.660 59.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22713 ATOM 22709 OW SOL 7046 41.780 13.380 57.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22714 ATOM 22710 HW1 SOL 7046 40.790 13.520 57.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22715 ATOM 22711 HW2 SOL 7046 42.030 12.480 57.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22716 ATOM 22712 OW SOL 7047 55.160 12.880 61.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22717 ATOM 22713 HW1 SOL 7047 55.970 13.010 62.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22718 ATOM 22714 HW2 SOL 7047 54.360 13.290 62.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22719 ATOM 22715 OW SOL 7048 51.960 6.790 55.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22720 ATOM 22716 HW1 SOL 7048 52.240 5.990 56.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22721 ATOM 22717 HW2 SOL 7048 52.740 7.410 55.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22722 ATOM 22718 OW SOL 7049 40.340 2.680 56.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22723 ATOM 22719 HW1 SOL 7049 41.090 2.030 56.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22724 ATOM 22720 HW2 SOL 7049 40.300 3.090 55.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22725 ATOM 22721 OW SOL 7050 53.140 11.360 70.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22726 ATOM 22722 HW1 SOL 7050 53.170 12.310 70.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22727 ATOM 22723 HW2 SOL 7050 52.340 10.900 70.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22728 ATOM 22724 OW SOL 7051 46.390 12.820 68.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22729 ATOM 22725 HW1 SOL 7051 45.410 13.010 68.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22730 ATOM 22726 HW2 SOL 7051 46.540 11.860 69.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22731 ATOM 22727 OW SOL 7052 48.550 13.130 67.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22732 ATOM 22728 HW1 SOL 7052 47.810 13.040 67.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22733 ATOM 22729 HW2 SOL 7052 48.310 12.660 66.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22734 ATOM 22730 OW SOL 7053 52.080 12.060 65.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22735 ATOM 22731 HW1 SOL 7053 52.030 11.460 66.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22736 ATOM 22732 HW2 SOL 7053 51.650 11.610 64.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22737 ATOM 22733 OW SOL 7054 44.170 72.220 68.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22738 ATOM 22734 HW1 SOL 7054 43.790 72.470 67.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22739 ATOM 22735 HW2 SOL 7054 44.340 71.240 68.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22740 ATOM 22736 OW SOL 7055 43.850 9.660 59.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22741 ATOM 22737 HW1 SOL 7055 43.020 9.490 60.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22742 ATOM 22738 HW2 SOL 7055 44.480 8.890 59.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22743 ATOM 22739 OW SOL 7056 40.860 7.620 67.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22744 ATOM 22740 HW1 SOL 7056 41.140 8.350 67.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22745 ATOM 22741 HW2 SOL 7056 40.450 6.870 67.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22746 ATOM 22742 OW SOL 7057 49.000 5.560 67.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22747 ATOM 22743 HW1 SOL 7057 49.520 5.770 68.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22748 ATOM 22744 HW2 SOL 7057 48.290 6.260 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22749 ATOM 22745 OW SOL 7058 36.400 17.130 69.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22750 ATOM 22746 HW1 SOL 7058 37.030 17.570 70.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22751 ATOM 22747 HW2 SOL 7058 36.910 16.590 68.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22752 ATOM 22748 OW SOL 7059 37.420 10.450 58.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22753 ATOM 22749 HW1 SOL 7059 37.560 10.820 57.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22754 ATOM 22750 HW2 SOL 7059 38.190 9.870 58.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22755 ATOM 22751 OW SOL 7060 40.020 4.480 63.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22756 ATOM 22752 HW1 SOL 7060 39.820 4.550 62.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22757 ATOM 22753 HW2 SOL 7060 40.970 4.760 63.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22758 ATOM 22754 OW SOL 7061 50.750 12.180 60.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22759 ATOM 22755 HW1 SOL 7061 50.360 13.090 60.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22760 ATOM 22756 HW2 SOL 7061 50.070 11.490 60.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22761 ATOM 22757 OW SOL 7062 49.620 15.570 67.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22762 ATOM 22758 HW1 SOL 7062 50.470 15.370 67.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22763 ATOM 22759 HW2 SOL 7062 49.090 14.730 67.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22764 ATOM 22760 OW SOL 7063 51.710 3.040 62.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22765 ATOM 22761 HW1 SOL 7063 50.750 2.820 62.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22766 ATOM 22762 HW2 SOL 7063 51.860 4.020 62.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22767 ATOM 22763 OW SOL 7064 41.500 15.780 68.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22768 ATOM 22764 HW1 SOL 7064 40.810 15.580 67.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22769 ATOM 22765 HW2 SOL 7064 42.260 16.280 67.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22770 ATOM 22766 OW SOL 7065 41.000 7.680 72.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22771 ATOM 22767 HW1 SOL 7065 41.750 7.560 71.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22772 ATOM 22768 HW2 SOL 7065 41.300 7.400 73.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22773 ATOM 22769 OW SOL 7066 53.710 5.810 71.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22774 ATOM 22770 HW1 SOL 7066 53.260 5.000 70.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22775 ATOM 22771 HW2 SOL 7066 54.550 6.000 70.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22776 ATOM 22772 OW SOL 7067 42.540 7.790 65.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22777 ATOM 22773 HW1 SOL 7067 43.130 8.540 65.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22778 ATOM 22774 HW2 SOL 7067 41.730 7.740 65.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22779 ATOM 22775 OW SOL 7068 48.220 9.380 65.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22780 ATOM 22776 HW1 SOL 7068 47.370 8.880 65.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22781 ATOM 22777 HW2 SOL 7068 48.970 8.880 65.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22782 ATOM 22778 OW SOL 7069 51.130 4.910 58.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22783 ATOM 22779 HW1 SOL 7069 51.380 3.950 58.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22784 ATOM 22780 HW2 SOL 7069 50.250 5.090 58.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22785 ATOM 22781 OW SOL 7070 37.540 1.980 66.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22786 ATOM 22782 HW1 SOL 7070 38.160 1.890 67.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22787 ATOM 22783 HW2 SOL 7070 38.060 2.270 65.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22788 ATOM 22784 OW SOL 7071 36.890 12.990 68.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22789 ATOM 22785 HW1 SOL 7071 36.500 12.200 69.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22790 ATOM 22786 HW2 SOL 7071 36.160 13.540 68.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22791 ATOM 22787 OW SOL 7072 42.890 4.940 64.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22792 ATOM 22788 HW1 SOL 7072 43.470 4.770 63.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22793 ATOM 22789 HW2 SOL 7072 42.950 5.910 64.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22794 ATOM 22790 OW SOL 7073 38.650 0.990 62.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22795 ATOM 22791 HW1 SOL 7073 38.670 1.550 61.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22796 ATOM 22792 HW2 SOL 7073 39.010 1.530 63.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22797 ATOM 22793 OW SOL 7074 52.310 2.510 59.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22798 ATOM 22794 HW1 SOL 7074 53.290 2.580 59.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22799 ATOM 22795 HW2 SOL 7074 52.180 2.680 60.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22800 ATOM 22796 OW SOL 7075 46.690 7.630 62.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22801 ATOM 22797 HW1 SOL 7075 46.320 7.800 63.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22802 ATOM 22798 HW2 SOL 7075 47.400 6.930 62.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22803 ATOM 22799 OW SOL 7076 53.290 14.210 71.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22804 ATOM 22800 HW1 SOL 7076 53.690 15.030 70.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22805 ATOM 22801 HW2 SOL 7076 53.740 14.010 71.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22806 ATOM 22802 OW SOL 7077 52.360 0.860 56.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22807 ATOM 22803 HW1 SOL 7077 51.520 0.340 57.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22808 ATOM 22804 HW2 SOL 7077 53.150 0.270 57.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22809 ATOM 22805 OW SOL 7078 49.400 8.020 55.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22810 ATOM 22806 HW1 SOL 7078 50.310 7.650 55.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22811 ATOM 22807 HW2 SOL 7078 49.290 8.290 54.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22812 ATOM 22808 OW SOL 7079 47.340 12.680 64.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22813 ATOM 22809 HW1 SOL 7079 46.410 12.470 64.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22814 ATOM 22810 HW2 SOL 7079 48.000 12.490 63.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22815 ATOM 22811 OW SOL 7080 37.190 8.330 64.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22816 ATOM 22812 HW1 SOL 7080 37.630 7.470 64.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22817 ATOM 22813 HW2 SOL 7080 36.540 8.620 65.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22818 ATOM 22814 OW SOL 7081 38.360 5.940 65.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22819 ATOM 22815 HW1 SOL 7081 37.490 5.450 64.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22820 ATOM 22816 HW2 SOL 7081 39.030 5.630 64.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22821 ATOM 22817 OW SOL 7082 50.580 2.870 67.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22822 ATOM 22818 HW1 SOL 7082 49.870 2.480 68.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22823 ATOM 22819 HW2 SOL 7082 50.580 3.870 68.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22824 ATOM 22820 OW SOL 7083 36.990 12.000 55.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22825 ATOM 22821 HW1 SOL 7083 36.160 12.560 55.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22826 ATOM 22822 HW2 SOL 7083 36.720 11.080 55.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22827 ATOM 22823 OW SOL 7084 36.260 18.150 64.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22828 ATOM 22824 HW1 SOL 7084 36.050 17.290 64.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22829 ATOM 22825 HW2 SOL 7084 37.210 18.150 64.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22830 ATOM 22826 OW SOL 7085 41.740 12.960 64.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22831 ATOM 22827 HW1 SOL 7085 40.990 12.530 64.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22832 ATOM 22828 HW2 SOL 7085 42.510 13.110 64.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22833 ATOM 22829 OW SOL 7086 45.980 7.820 65.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22834 ATOM 22830 HW1 SOL 7086 45.040 8.120 65.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22835 ATOM 22831 HW2 SOL 7086 46.230 7.150 66.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22836 ATOM 22832 OW SOL 7087 36.030 5.740 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22837 ATOM 22833 HW1 SOL 7087 36.380 5.620 66.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22838 ATOM 22834 HW2 SOL 7087 36.670 5.350 67.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22839 ATOM 22835 OW SOL 7088 45.540 4.750 57.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22840 ATOM 22836 HW1 SOL 7088 44.800 5.420 57.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22841 ATOM 22837 HW2 SOL 7088 46.400 5.150 57.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22842 ATOM 22838 OW SOL 7089 55.250 5.540 66.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22843 ATOM 22839 HW1 SOL 7089 55.350 4.900 67.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22844 ATOM 22840 HW2 SOL 7089 55.930 5.320 65.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22845 ATOM 22841 OW SOL 7090 39.030 14.650 72.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22846 ATOM 22842 HW1 SOL 7090 38.060 14.840 72.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22847 ATOM 22843 HW2 SOL 7090 39.420 15.230 71.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22848 ATOM 22844 OW SOL 7091 42.760 3.530 66.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22849 ATOM 22845 HW1 SOL 7091 42.180 2.720 66.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22850 ATOM 22846 HW2 SOL 7091 42.810 3.880 65.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22851 ATOM 22847 OW SOL 7092 48.280 17.200 70.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22852 ATOM 22848 HW1 SOL 7092 47.840 17.210 69.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22853 ATOM 22849 HW2 SOL 7092 49.260 17.070 70.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22854 ATOM 22850 OW SOL 7093 40.440 4.330 54.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22855 ATOM 22851 HW1 SOL 7093 41.430 4.250 54.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22856 ATOM 22852 HW2 SOL 7093 40.190 5.280 54.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22857 ATOM 22853 OW SOL 7094 40.060 12.230 69.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22858 ATOM 22854 HW1 SOL 7094 39.690 11.580 68.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22859 ATOM 22855 HW2 SOL 7094 40.320 11.740 69.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22860 ATOM 22856 OW SOL 7095 50.160 10.750 67.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22861 ATOM 22857 HW1 SOL 7095 49.460 10.220 66.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22862 ATOM 22858 HW2 SOL 7095 49.750 11.560 67.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22863 ATOM 22859 OW SOL 7096 50.370 10.260 57.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22864 ATOM 22860 HW1 SOL 7096 49.860 11.050 57.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22865 ATOM 22861 HW2 SOL 7096 49.830 9.780 56.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22866 ATOM 22862 OW SOL 7097 54.030 16.490 69.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22867 ATOM 22863 HW1 SOL 7097 54.930 16.920 69.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22868 ATOM 22864 HW2 SOL 7097 53.430 16.820 69.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22869 ATOM 22865 OW SOL 7098 49.220 18.200 66.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22870 ATOM 22866 HW1 SOL 7098 49.990 18.750 65.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22871 ATOM 22867 HW2 SOL 7098 49.560 17.390 66.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22872 ATOM 22868 OW SOL 7099 37.820 13.130 66.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22873 ATOM 22869 HW1 SOL 7099 37.730 12.860 67.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22874 ATOM 22870 HW2 SOL 7099 37.330 12.470 65.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22875 ATOM 22871 OW SOL 7100 55.040 2.460 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22876 ATOM 22872 HW1 SOL 7100 55.600 2.040 58.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22877 ATOM 22873 HW2 SOL 7100 55.390 2.190 60.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22878 ATOM 22874 OW SOL 7101 51.930 14.950 60.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22879 ATOM 22875 HW1 SOL 7101 51.900 15.240 59.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22880 ATOM 22876 HW2 SOL 7101 51.070 15.180 61.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22881 ATOM 22877 OW SOL 7102 48.900 9.960 60.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22882 ATOM 22878 HW1 SOL 7102 49.570 9.320 60.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22883 ATOM 22879 HW2 SOL 7102 48.480 9.550 59.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22884 ATOM 22880 OW SOL 7103 43.820 13.820 69.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22885 ATOM 22881 HW1 SOL 7103 44.190 14.750 69.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22886 ATOM 22882 HW2 SOL 7103 42.830 13.860 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22887 ATOM 22883 OW SOL 7104 42.920 15.790 57.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22888 ATOM 22884 HW1 SOL 7104 42.650 15.880 56.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22889 ATOM 22885 HW2 SOL 7104 42.540 14.940 57.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22890 ATOM 22886 OW SOL 7105 52.340 17.450 68.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22891 ATOM 22887 HW1 SOL 7105 52.780 18.350 68.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22892 ATOM 22888 HW2 SOL 7105 52.420 17.050 67.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22893 ATOM 22889 OW SOL 7106 51.150 2.110 65.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22894 ATOM 22890 HW1 SOL 7106 52.080 2.180 64.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22895 ATOM 22891 HW2 SOL 7106 51.140 2.450 66.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22896 ATOM 22892 OW SOL 7107 38.050 2.460 60.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22897 ATOM 22893 HW1 SOL 7107 38.190 2.200 59.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22898 ATOM 22894 HW2 SOL 7107 37.140 2.850 60.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22899 ATOM 22895 OW SOL 7108 49.210 14.180 56.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22900 ATOM 22896 HW1 SOL 7108 48.980 13.530 57.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22901 ATOM 22897 HW2 SOL 7108 48.500 14.150 55.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22902 ATOM 22898 OW SOL 7109 44.840 9.530 68.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22903 ATOM 22899 HW1 SOL 7109 44.490 9.840 67.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22904 ATOM 22900 HW2 SOL 7109 45.790 9.810 68.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22905 ATOM 22901 OW SOL 7110 45.610 7.650 60.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22906 ATOM 22902 HW1 SOL 7110 46.320 7.830 59.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22907 ATOM 22903 HW2 SOL 7110 46.040 7.420 60.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22908 ATOM 22904 OW SOL 7111 51.720 15.210 57.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22909 ATOM 22905 HW1 SOL 7111 51.010 14.720 57.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22910 ATOM 22906 HW2 SOL 7111 52.610 15.060 57.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22911 ATOM 22907 OW SOL 7112 38.670 14.910 69.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22912 ATOM 22908 HW1 SOL 7112 37.900 14.290 69.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22913 ATOM 22909 HW2 SOL 7112 39.470 14.380 68.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22914 ATOM 22910 OW SOL 7113 53.970 12.440 67.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22915 ATOM 22911 HW1 SOL 7113 53.150 12.520 67.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22916 ATOM 22912 HW2 SOL 7113 54.010 11.520 66.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22917 ATOM 22913 OW SOL 7114 47.000 10.870 62.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22918 ATOM 22914 HW1 SOL 7114 46.950 10.120 62.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22919 ATOM 22915 HW2 SOL 7114 47.630 10.610 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22920 ATOM 22916 OW SOL 7115 45.410 3.400 66.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22921 ATOM 22917 HW1 SOL 7115 44.450 3.270 66.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22922 ATOM 22918 HW2 SOL 7115 45.970 2.710 66.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22923 ATOM 22919 OW SOL 7116 42.900 13.070 60.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22924 ATOM 22920 HW1 SOL 7116 43.870 12.900 60.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22925 ATOM 22921 HW2 SOL 7116 42.390 13.240 59.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22926 ATOM 22922 OW SOL 7117 55.810 3.370 68.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22927 ATOM 22923 HW1 SOL 7117 55.720 2.450 67.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22928 ATOM 22924 HW2 SOL 7117 56.480 3.360 68.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22929 ATOM 22925 OW SOL 7118 39.170 12.650 57.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22930 ATOM 22926 HW1 SOL 7118 38.180 12.770 57.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22931 ATOM 22927 HW2 SOL 7118 39.460 12.710 58.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22932 ATOM 22928 OW SOL 7119 40.240 10.140 71.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22933 ATOM 22929 HW1 SOL 7119 39.280 10.390 71.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22934 ATOM 22930 HW2 SOL 7119 40.310 9.380 71.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22935 ATOM 22931 OW SOL 7120 43.480 1.630 70.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22936 ATOM 22932 HW1 SOL 7120 44.000 1.210 69.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22937 ATOM 22933 HW2 SOL 7120 44.040 1.640 71.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22938 ATOM 22934 OW SOL 7121 35.750 4.550 52.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22939 ATOM 22935 HW1 SOL 7121 36.350 4.490 51.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22940 ATOM 22936 HW2 SOL 7121 35.450 5.490 52.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22941 ATOM 22937 OW SOL 7122 52.510 9.750 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22942 ATOM 22938 HW1 SOL 7122 51.560 9.940 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22943 ATOM 22939 HW2 SOL 7122 52.520 9.060 66.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22944 ATOM 22940 OW SOL 7123 34.380 2.870 57.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22945 ATOM 22941 HW1 SOL 7123 33.890 2.540 56.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22946 ATOM 22942 HW2 SOL 7123 35.300 3.150 56.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22947 ATOM 22943 OW SOL 7124 48.410 12.220 58.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22948 ATOM 22944 HW1 SOL 7124 47.460 11.900 58.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22949 ATOM 22945 HW2 SOL 7124 48.660 12.680 59.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22950 ATOM 22946 OW SOL 7125 41.760 9.340 69.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22951 ATOM 22947 HW1 SOL 7125 41.310 9.510 69.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22952 ATOM 22948 HW2 SOL 7125 42.710 9.620 69.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22953 ATOM 22949 OW SOL 7126 51.840 19.190 65.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22954 ATOM 22950 HW1 SOL 7126 51.960 19.880 64.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22955 ATOM 22951 HW2 SOL 7126 52.720 18.770 65.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22956 ATOM 22952 OW SOL 7127 42.380 7.340 2.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22957 ATOM 22953 HW1 SOL 7127 42.000 7.930 3.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22958 ATOM 22954 HW2 SOL 7127 43.010 7.870 1.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22959 ATOM 22955 OW SOL 7128 40.820 16.800 70.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22960 ATOM 22956 HW1 SOL 7128 39.940 17.200 70.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22961 ATOM 22957 HW2 SOL 7128 41.200 16.320 70.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22962 ATOM 22958 OW SOL 7129 53.150 7.170 65.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22963 ATOM 22959 HW1 SOL 7129 53.890 6.760 66.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22964 ATOM 22960 HW2 SOL 7129 53.450 7.290 64.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22965 ATOM 22961 OW SOL 7130 48.250 2.440 60.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22966 ATOM 22962 HW1 SOL 7130 48.870 2.170 59.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22967 ATOM 22963 HW2 SOL 7130 48.740 2.470 61.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22968 ATOM 22964 OW SOL 7131 42.260 7.310 59.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22969 ATOM 22965 HW1 SOL 7131 42.030 7.750 60.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22970 ATOM 22966 HW2 SOL 7131 41.720 6.470 59.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22971 ATOM 22967 OW SOL 7132 53.390 8.510 69.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22972 ATOM 22968 HW1 SOL 7132 53.540 9.070 70.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22973 ATOM 22969 HW2 SOL 7132 53.070 9.080 68.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22974 ATOM 22970 OW SOL 7133 45.590 13.100 57.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22975 ATOM 22971 HW1 SOL 7133 45.560 12.560 58.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22976 ATOM 22972 HW2 SOL 7133 45.470 14.060 57.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22977 ATOM 22973 OW SOL 7134 43.200 16.140 64.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22978 ATOM 22974 HW1 SOL 7134 43.260 17.110 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22979 ATOM 22975 HW2 SOL 7134 43.040 15.600 63.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22980 ATOM 22976 OW SOL 7135 45.030 11.660 63.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22981 ATOM 22977 HW1 SOL 7135 45.630 11.510 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22982 ATOM 22978 HW2 SOL 7135 44.080 11.720 63.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22983 ATOM 22979 OW SOL 7136 47.790 8.850 58.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22984 ATOM 22980 HW1 SOL 7136 46.970 9.140 57.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22985 ATOM 22981 HW2 SOL 7136 48.450 8.460 57.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22986 ATOM 22982 OW SOL 7137 54.560 16.170 64.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22987 ATOM 22983 HW1 SOL 7137 53.930 16.060 63.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22988 ATOM 22984 HW2 SOL 7137 54.590 15.310 64.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22989 ATOM 22985 OW SOL 7138 36.680 11.930 60.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22990 ATOM 22986 HW1 SOL 7138 36.920 11.420 61.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22991 ATOM 22987 HW2 SOL 7138 36.750 11.320 60.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22992 ATOM 22988 OW SOL 7139 43.290 12.080 72.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22993 ATOM 22989 HW1 SOL 7139 42.460 12.470 72.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22994 ATOM 22990 HW2 SOL 7139 43.490 12.540 71.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22995 ATOM 22991 OW SOL 7140 50.990 72.090 68.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22996 ATOM 22992 HW1 SOL 7140 50.240 71.690 67.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22997 ATOM 22993 HW2 SOL 7140 50.660 72.900 68.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22998 ATOM 22994 OW SOL 7141 39.430 4.760 60.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
22999 ATOM 22995 HW1 SOL 7141 39.820 4.880 59.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23000 ATOM 22996 HW2 SOL 7141 38.950 3.880 60.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23001 ATOM 22997 OW SOL 7142 54.940 13.930 65.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23002 ATOM 22998 HW1 SOL 7142 55.680 13.520 64.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23003 ATOM 22999 HW2 SOL 7142 54.640 13.290 66.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23004 ATOM 23000 OW SOL 7143 39.720 5.270 67.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23005 ATOM 23001 HW1 SOL 7143 40.240 4.450 67.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23006 ATOM 23002 HW2 SOL 7143 39.800 5.420 66.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23007 ATOM 23003 OW SOL 7144 42.890 15.210 62.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23008 ATOM 23004 HW1 SOL 7144 43.060 16.100 61.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23009 ATOM 23005 HW2 SOL 7144 42.950 14.490 61.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23010 ATOM 23006 OW SOL 7145 48.890 1.390 70.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23011 ATOM 23007 HW1 SOL 7145 47.950 1.280 69.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23012 ATOM 23008 HW2 SOL 7145 48.920 1.320 71.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23013 ATOM 23009 OW SOL 7146 45.350 0.730 64.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23014 ATOM 23010 HW1 SOL 7146 44.940 1.170 64.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23015 ATOM 23011 HW2 SOL 7146 46.210 1.180 65.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23016 ATOM 23012 OW SOL 7147 45.470 11.710 59.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23017 ATOM 23013 HW1 SOL 7147 44.870 10.920 59.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23018 ATOM 23014 HW2 SOL 7147 46.030 11.640 60.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23019 ATOM 23015 OW SOL 7148 43.860 16.750 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23020 ATOM 23016 HW1 SOL 7148 44.840 16.550 67.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23021 ATOM 23017 HW2 SOL 7148 43.500 16.670 66.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23022 ATOM 23018 OW SOL 7149 49.390 72.460 56.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23023 ATOM 23019 HW1 SOL 7149 49.900 71.690 56.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23024 ATOM 23020 HW2 SOL 7149 48.670 72.100 57.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23025 ATOM 23021 OW SOL 7150 49.030 2.730 63.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23026 ATOM 23022 HW1 SOL 7150 48.040 2.590 62.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23027 ATOM 23023 HW2 SOL 7150 49.250 3.300 63.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23028 ATOM 23024 OW SOL 7151 52.070 4.770 65.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23029 ATOM 23025 HW1 SOL 7151 52.520 5.610 65.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23030 ATOM 23026 HW2 SOL 7151 52.760 4.060 65.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23031 ATOM 23027 OW SOL 7152 34.820 8.590 59.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23032 ATOM 23028 HW1 SOL 7152 34.950 9.200 59.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23033 ATOM 23029 HW2 SOL 7152 35.170 7.680 59.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23034 ATOM 23030 OW SOL 7153 45.210 15.630 59.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23035 ATOM 23031 HW1 SOL 7153 44.420 15.870 58.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23036 ATOM 23032 HW2 SOL 7153 45.250 16.250 59.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23037 ATOM 23033 OW SOL 7154 36.560 23.810 1.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23038 ATOM 23034 HW1 SOL 7154 36.780 24.350 2.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23039 ATOM 23035 HW2 SOL 7154 36.950 24.250 0.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23040 ATOM 23036 OW SOL 7155 40.490 20.180 10.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23041 ATOM 23037 HW1 SOL 7155 40.120 19.610 11.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23042 ATOM 23038 HW2 SOL 7155 40.710 19.610 9.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23043 ATOM 23039 OW SOL 7156 36.650 21.840 6.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23044 ATOM 23040 HW1 SOL 7156 35.790 22.040 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23045 ATOM 23041 HW2 SOL 7156 36.660 20.890 6.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23046 ATOM 23042 OW SOL 7157 42.990 30.780 12.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23047 ATOM 23043 HW1 SOL 7157 42.090 30.940 11.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23048 ATOM 23044 HW2 SOL 7157 43.280 31.590 12.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23049 ATOM 23045 OW SOL 7158 53.820 33.370 6.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23050 ATOM 23046 HW1 SOL 7158 53.070 32.960 7.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23051 ATOM 23047 HW2 SOL 7158 53.760 33.110 5.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23052 ATOM 23048 OW SOL 7159 47.940 24.870 6.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23053 ATOM 23049 HW1 SOL 7159 48.570 25.630 6.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23054 ATOM 23050 HW2 SOL 7159 47.570 24.930 7.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23055 ATOM 23051 OW SOL 7160 54.610 25.750 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23056 ATOM 23052 HW1 SOL 7160 55.410 25.410 1.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23057 ATOM 23053 HW2 SOL 7160 53.830 25.160 1.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23058 ATOM 23054 OW SOL 7161 44.520 29.380 10.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23059 ATOM 23055 HW1 SOL 7161 43.850 29.890 11.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23060 ATOM 23056 HW2 SOL 7161 45.090 30.010 10.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23061 ATOM 23057 OW SOL 7162 47.050 25.090 20.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23062 ATOM 23058 HW1 SOL 7162 47.280 26.020 20.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23063 ATOM 23059 HW2 SOL 7162 47.140 25.010 19.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23064 ATOM 23060 OW SOL 7163 44.060 27.280 6.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23065 ATOM 23061 HW1 SOL 7163 44.840 27.430 6.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23066 ATOM 23062 HW2 SOL 7163 43.390 28.010 6.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23067 ATOM 23063 OW SOL 7164 43.630 30.260 19.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23068 ATOM 23064 HW1 SOL 7164 43.880 30.950 19.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23069 ATOM 23065 HW2 SOL 7164 42.680 29.990 19.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23070 ATOM 23066 OW SOL 7165 40.540 31.330 10.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23071 ATOM 23067 HW1 SOL 7165 39.780 30.820 10.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23072 ATOM 23068 HW2 SOL 7165 41.250 31.480 10.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23073 ATOM 23069 OW SOL 7166 50.850 32.570 13.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23074 ATOM 23070 HW1 SOL 7166 51.630 32.930 13.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23075 ATOM 23071 HW2 SOL 7166 50.000 32.830 13.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23076 ATOM 23072 OW SOL 7167 42.960 23.440 16.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23077 ATOM 23073 HW1 SOL 7167 43.740 24.010 15.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23078 ATOM 23074 HW2 SOL 7167 43.280 22.530 16.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23079 ATOM 23075 OW SOL 7168 51.030 21.620 8.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23080 ATOM 23076 HW1 SOL 7168 50.160 21.560 8.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23081 ATOM 23077 HW2 SOL 7168 51.250 22.580 8.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23082 ATOM 23078 OW SOL 7169 37.670 35.390 4.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23083 ATOM 23079 HW1 SOL 7169 38.330 36.110 4.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23084 ATOM 23080 HW2 SOL 7169 37.760 34.640 5.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23085 ATOM 23081 OW SOL 7170 48.540 29.530 16.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23086 ATOM 23082 HW1 SOL 7170 48.030 28.820 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23087 ATOM 23083 HW2 SOL 7170 49.480 29.230 15.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23088 ATOM 23084 OW SOL 7171 37.780 33.290 6.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23089 ATOM 23085 HW1 SOL 7171 37.590 33.420 7.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23090 ATOM 23086 HW2 SOL 7171 37.800 32.320 6.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23091 ATOM 23087 OW SOL 7172 39.060 27.820 7.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23092 ATOM 23088 HW1 SOL 7172 38.930 26.990 6.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23093 ATOM 23089 HW2 SOL 7172 38.730 27.650 8.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23094 ATOM 23090 OW SOL 7173 42.660 35.860 14.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23095 ATOM 23091 HW1 SOL 7173 42.240 35.860 14.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23096 ATOM 23092 HW2 SOL 7173 43.400 36.540 14.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23097 ATOM 23093 OW SOL 7174 44.310 28.310 1.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23098 ATOM 23094 HW1 SOL 7174 44.790 27.560 1.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23099 ATOM 23095 HW2 SOL 7174 44.810 29.160 1.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23100 ATOM 23096 OW SOL 7175 53.480 18.390 14.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23101 ATOM 23097 HW1 SOL 7175 54.390 18.590 14.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23102 ATOM 23098 HW2 SOL 7175 52.800 18.940 14.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23103 ATOM 23099 OW SOL 7176 37.070 23.750 4.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23104 ATOM 23100 HW1 SOL 7176 37.700 23.000 4.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23105 ATOM 23101 HW2 SOL 7176 36.230 23.390 4.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23106 ATOM 23102 OW SOL 7177 56.070 34.340 2.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23107 ATOM 23103 HW1 SOL 7177 56.860 34.450 3.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23108 ATOM 23104 HW2 SOL 7177 55.820 35.220 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23109 ATOM 23105 OW SOL 7178 40.290 32.920 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23110 ATOM 23106 HW1 SOL 7178 39.600 32.190 3.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23111 ATOM 23107 HW2 SOL 7178 41.130 32.550 2.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23112 ATOM 23108 OW SOL 7179 54.750 25.610 5.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23113 ATOM 23109 HW1 SOL 7179 55.410 26.040 6.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23114 ATOM 23110 HW2 SOL 7179 54.080 26.300 5.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23115 ATOM 23111 OW SOL 7180 53.800 28.150 4.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23116 ATOM 23112 HW1 SOL 7180 54.560 28.290 4.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23117 ATOM 23113 HW2 SOL 7180 53.890 28.780 5.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23118 ATOM 23114 OW SOL 7181 38.450 26.040 16.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23119 ATOM 23115 HW1 SOL 7181 38.350 26.240 16.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23120 ATOM 23116 HW2 SOL 7181 37.720 26.490 15.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23121 ATOM 23117 OW SOL 7182 43.100 30.730 6.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23122 ATOM 23118 HW1 SOL 7182 42.320 30.160 6.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23123 ATOM 23119 HW2 SOL 7182 43.390 31.260 5.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23124 ATOM 23120 OW SOL 7183 50.900 29.130 13.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23125 ATOM 23121 HW1 SOL 7183 51.270 28.270 14.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23126 ATOM 23122 HW2 SOL 7183 51.530 29.550 13.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23127 ATOM 23123 OW SOL 7184 44.050 18.250 3.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23128 ATOM 23124 HW1 SOL 7184 44.860 18.820 4.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23129 ATOM 23125 HW2 SOL 7184 43.260 18.690 4.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23130 ATOM 23126 OW SOL 7185 41.080 27.600 14.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23131 ATOM 23127 HW1 SOL 7185 41.520 26.820 13.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23132 ATOM 23128 HW2 SOL 7185 41.730 28.010 14.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23133 ATOM 23129 OW SOL 7186 51.800 27.580 3.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23134 ATOM 23130 HW1 SOL 7186 51.350 26.760 3.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23135 ATOM 23131 HW2 SOL 7186 52.710 27.670 3.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23136 ATOM 23132 OW SOL 7187 49.460 35.840 14.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23137 ATOM 23133 HW1 SOL 7187 48.930 36.410 13.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23138 ATOM 23134 HW2 SOL 7187 49.110 34.910 14.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23139 ATOM 23135 OW SOL 7188 40.410 19.220 19.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23140 ATOM 23136 HW1 SOL 7188 41.030 19.980 19.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23141 ATOM 23137 HW2 SOL 7188 39.510 19.410 19.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23142 ATOM 23138 OW SOL 7189 51.890 32.380 8.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23143 ATOM 23139 HW1 SOL 7189 51.160 32.450 9.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23144 ATOM 23140 HW2 SOL 7189 51.750 31.560 7.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23145 ATOM 23141 OW SOL 7190 55.280 35.700 5.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23146 ATOM 23142 HW1 SOL 7190 54.850 34.850 6.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23147 ATOM 23143 HW2 SOL 7190 55.750 36.130 6.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23148 ATOM 23144 OW SOL 7191 39.060 25.040 2.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23149 ATOM 23145 HW1 SOL 7191 40.020 24.820 2.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23150 ATOM 23146 HW2 SOL 7191 38.630 25.320 3.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23151 ATOM 23147 OW SOL 7192 47.930 21.670 11.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23152 ATOM 23148 HW1 SOL 7192 48.480 20.840 11.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23153 ATOM 23149 HW2 SOL 7192 47.680 22.000 12.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23154 ATOM 23150 OW SOL 7193 53.760 33.740 4.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23155 ATOM 23151 HW1 SOL 7193 54.680 33.980 3.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23156 ATOM 23152 HW2 SOL 7193 53.150 33.730 3.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23157 ATOM 23153 OW SOL 7194 47.040 23.390 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23158 ATOM 23154 HW1 SOL 7194 46.740 22.490 14.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23159 ATOM 23155 HW2 SOL 7194 48.040 23.450 14.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23160 ATOM 23156 OW SOL 7195 51.790 22.350 16.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23161 ATOM 23157 HW1 SOL 7195 52.140 23.260 16.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23162 ATOM 23158 HW2 SOL 7195 52.080 21.710 16.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23163 ATOM 23159 OW SOL 7196 46.950 27.340 16.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23164 ATOM 23160 HW1 SOL 7196 47.050 26.440 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23165 ATOM 23161 HW2 SOL 7196 46.280 27.280 15.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23166 ATOM 23162 OW SOL 7197 46.240 21.020 13.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23167 ATOM 23163 HW1 SOL 7197 45.780 21.590 13.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23168 ATOM 23164 HW2 SOL 7197 45.840 20.100 13.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23169 ATOM 23165 OW SOL 7198 45.870 24.430 4.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23170 ATOM 23166 HW1 SOL 7198 46.600 24.400 5.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23171 ATOM 23167 HW2 SOL 7198 45.180 23.740 5.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23172 ATOM 23168 OW SOL 7199 35.510 26.120 8.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23173 ATOM 23169 HW1 SOL 7199 36.320 25.570 8.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23174 ATOM 23170 HW2 SOL 7199 35.530 26.940 8.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23175 ATOM 23171 OW SOL 7200 36.750 36.030 16.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23176 ATOM 23172 HW1 SOL 7200 36.920 36.390 17.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23177 ATOM 23173 HW2 SOL 7200 35.840 35.610 16.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23178 ATOM 23174 OW SOL 7201 46.330 19.790 1.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23179 ATOM 23175 HW1 SOL 7201 46.540 20.700 1.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23180 ATOM 23176 HW2 SOL 7201 46.820 19.100 1.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23181 ATOM 23177 OW SOL 7202 55.430 25.630 21.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23182 ATOM 23178 HW1 SOL 7202 54.890 26.390 20.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23183 ATOM 23179 HW2 SOL 7202 55.540 24.940 20.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23184 ATOM 23180 OW SOL 7203 50.490 29.020 4.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23185 ATOM 23181 HW1 SOL 7203 50.730 28.490 4.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23186 ATOM 23182 HW2 SOL 7203 50.010 29.850 4.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23187 ATOM 23183 OW SOL 7204 43.870 18.970 10.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23188 ATOM 23184 HW1 SOL 7204 43.430 19.790 10.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23189 ATOM 23185 HW2 SOL 7204 44.680 19.230 9.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23190 ATOM 23186 OW SOL 7205 46.610 32.800 3.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23191 ATOM 23187 HW1 SOL 7205 46.370 33.620 3.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23192 ATOM 23188 HW2 SOL 7205 46.020 32.720 4.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23193 ATOM 23189 OW SOL 7206 40.280 35.050 8.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23194 ATOM 23190 HW1 SOL 7206 40.700 34.490 7.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23195 ATOM 23191 HW2 SOL 7206 40.990 35.580 8.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23196 ATOM 23192 OW SOL 7207 54.750 27.460 10.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23197 ATOM 23193 HW1 SOL 7207 54.760 26.600 9.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23198 ATOM 23194 HW2 SOL 7207 53.850 27.880 10.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23199 ATOM 23195 OW SOL 7208 48.270 33.450 14.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23200 ATOM 23196 HW1 SOL 7208 48.240 32.890 14.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23201 ATOM 23197 HW2 SOL 7208 47.530 33.180 13.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23202 ATOM 23198 OW SOL 7209 41.790 25.740 2.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23203 ATOM 23199 HW1 SOL 7209 42.730 26.050 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23204 ATOM 23200 HW2 SOL 7209 41.740 25.300 1.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23205 ATOM 23201 OW SOL 7210 52.120 25.220 6.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23206 ATOM 23202 HW1 SOL 7210 52.000 24.700 7.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23207 ATOM 23203 HW2 SOL 7210 53.090 25.430 6.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23208 ATOM 23204 OW SOL 7211 41.660 31.890 17.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23209 ATOM 23205 HW1 SOL 7211 41.060 31.820 16.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23210 ATOM 23206 HW2 SOL 7211 41.590 31.060 17.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23211 ATOM 23207 OW SOL 7212 48.610 35.010 2.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23212 ATOM 23208 HW1 SOL 7212 47.630 35.170 2.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23213 ATOM 23209 HW2 SOL 7212 48.880 34.170 2.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23214 ATOM 23210 OW SOL 7213 39.760 19.990 16.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23215 ATOM 23211 HW1 SOL 7213 39.210 20.530 17.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23216 ATOM 23212 HW2 SOL 7213 39.180 19.300 16.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23217 ATOM 23213 OW SOL 7214 53.490 31.530 0.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23218 ATOM 23214 HW1 SOL 7214 53.040 32.390 1.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23219 ATOM 23215 HW2 SOL 7214 52.800 30.830 0.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23220 ATOM 23216 OW SOL 7215 41.120 35.530 3.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23221 ATOM 23217 HW1 SOL 7215 41.270 35.850 4.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23222 ATOM 23218 HW2 SOL 7215 40.620 34.660 3.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23223 ATOM 23219 OW SOL 7216 51.160 19.570 4.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23224 ATOM 23220 HW1 SOL 7216 51.410 19.000 3.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23225 ATOM 23221 HW2 SOL 7216 51.990 19.880 5.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23226 ATOM 23222 OW SOL 7217 38.830 35.620 13.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23227 ATOM 23223 HW1 SOL 7217 39.540 34.920 13.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23228 ATOM 23224 HW2 SOL 7217 38.570 35.720 12.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23229 ATOM 23225 OW SOL 7218 45.890 34.700 9.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23230 ATOM 23226 HW1 SOL 7218 46.850 34.900 9.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23231 ATOM 23227 HW2 SOL 7218 45.780 33.730 10.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23232 ATOM 23228 OW SOL 7219 38.750 25.380 6.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23233 ATOM 23229 HW1 SOL 7219 39.010 24.810 6.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23234 ATOM 23230 HW2 SOL 7219 37.960 24.960 5.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23235 ATOM 23231 OW SOL 7220 52.500 20.210 17.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23236 ATOM 23232 HW1 SOL 7220 53.060 19.580 18.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23237 ATOM 23233 HW2 SOL 7220 51.890 19.700 17.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23238 ATOM 23234 OW SOL 7221 42.520 18.070 0.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23239 ATOM 23235 HW1 SOL 7221 43.150 17.540 0.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23240 ATOM 23236 HW2 SOL 7221 41.990 17.440 -0.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23241 ATOM 23237 OW SOL 7222 44.660 20.660 17.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23242 ATOM 23238 HW1 SOL 7222 45.190 19.880 17.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23243 ATOM 23239 HW2 SOL 7222 44.370 20.490 16.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23244 ATOM 23240 OW SOL 7223 46.600 32.000 10.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23245 ATOM 23241 HW1 SOL 7223 45.970 31.720 9.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23246 ATOM 23242 HW2 SOL 7223 47.390 31.390 10.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23247 ATOM 23243 OW SOL 7224 49.810 23.050 14.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23248 ATOM 23244 HW1 SOL 7224 50.580 22.960 14.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23249 ATOM 23245 HW2 SOL 7224 50.050 23.710 13.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23250 ATOM 23246 OW SOL 7225 45.180 30.800 8.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23251 ATOM 23247 HW1 SOL 7225 45.900 31.130 7.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23252 ATOM 23248 HW2 SOL 7225 44.340 30.670 7.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23253 ATOM 23249 OW SOL 7226 46.310 22.470 9.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23254 ATOM 23250 HW1 SOL 7226 45.870 21.970 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23255 ATOM 23251 HW2 SOL 7226 46.670 21.830 9.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23256 ATOM 23252 OW SOL 7227 41.570 19.220 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23257 ATOM 23253 HW1 SOL 7227 41.540 19.570 5.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23258 ATOM 23254 HW2 SOL 7227 41.360 19.960 3.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23259 ATOM 23255 OW SOL 7228 51.890 29.150 0.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23260 ATOM 23256 HW1 SOL 7228 51.900 28.710 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23261 ATOM 23257 HW2 SOL 7228 50.970 29.480 0.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23262 ATOM 23258 OW SOL 7229 39.510 18.320 0.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23263 ATOM 23259 HW1 SOL 7229 39.810 19.260 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23264 ATOM 23260 HW2 SOL 7229 40.270 17.690 0.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23265 ATOM 23261 OW SOL 7230 45.970 20.330 4.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23266 ATOM 23262 HW1 SOL 7230 45.960 20.140 3.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23267 ATOM 23263 HW2 SOL 7230 46.920 20.380 4.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23268 ATOM 23264 OW SOL 7231 47.770 24.870 17.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23269 ATOM 23265 HW1 SOL 7231 47.510 24.210 17.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23270 ATOM 23266 HW2 SOL 7231 48.710 24.680 18.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23271 ATOM 23267 OW SOL 7232 49.150 32.900 6.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23272 ATOM 23268 HW1 SOL 7232 49.400 33.460 5.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23273 ATOM 23269 HW2 SOL 7232 49.260 33.430 7.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23274 ATOM 23270 OW SOL 7233 41.340 28.790 5.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23275 ATOM 23271 HW1 SOL 7233 40.580 28.500 6.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23276 ATOM 23272 HW2 SOL 7233 41.110 28.610 5.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23277 ATOM 23273 OW SOL 7234 50.400 36.790 6.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23278 ATOM 23274 HW1 SOL 7234 50.460 37.170 5.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23279 ATOM 23275 HW2 SOL 7234 49.630 36.160 6.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23280 ATOM 23276 OW SOL 7235 46.780 22.210 0.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23281 ATOM 23277 HW1 SOL 7235 47.770 22.240 0.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23282 ATOM 23278 HW2 SOL 7235 46.410 23.140 0.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23283 ATOM 23279 OW SOL 7236 38.610 24.220 14.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23284 ATOM 23280 HW1 SOL 7236 39.510 24.140 13.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23285 ATOM 23281 HW2 SOL 7236 38.600 25.010 14.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23286 ATOM 23282 OW SOL 7237 42.600 20.990 12.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23287 ATOM 23283 HW1 SOL 7237 42.300 21.400 12.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23288 ATOM 23284 HW2 SOL 7237 41.810 20.750 11.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23289 ATOM 23285 OW SOL 7238 45.370 21.190 6.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23290 ATOM 23286 HW1 SOL 7238 44.850 22.050 6.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23291 ATOM 23287 HW2 SOL 7238 45.700 20.970 5.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23292 ATOM 23288 OW SOL 7239 46.020 19.170 8.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23293 ATOM 23289 HW1 SOL 7239 45.870 19.930 7.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23294 ATOM 23290 HW2 SOL 7239 46.100 18.320 8.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23295 ATOM 23291 OW SOL 7240 52.000 29.740 7.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23296 ATOM 23292 HW1 SOL 7240 51.340 29.560 6.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23297 ATOM 23293 HW2 SOL 7240 52.920 29.610 6.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23298 ATOM 23294 OW SOL 7241 51.790 24.210 9.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23299 ATOM 23295 HW1 SOL 7241 51.120 24.770 9.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23300 ATOM 23296 HW2 SOL 7241 52.510 23.920 10.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23301 ATOM 23297 OW SOL 7242 56.960 24.840 3.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23302 ATOM 23298 HW1 SOL 7242 56.740 24.130 4.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23303 ATOM 23299 HW2 SOL 7242 56.120 25.160 3.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23304 ATOM 23300 OW SOL 7243 42.720 31.530 2.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23305 ATOM 23301 HW1 SOL 7243 42.740 31.900 3.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23306 ATOM 23302 HW2 SOL 7243 42.280 30.630 2.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23307 ATOM 23303 OW SOL 7244 54.650 29.520 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23308 ATOM 23304 HW1 SOL 7244 55.010 29.590 7.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23309 ATOM 23305 HW2 SOL 7244 55.300 29.940 6.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23310 ATOM 23306 OW SOL 7245 49.720 22.710 1.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23311 ATOM 23307 HW1 SOL 7245 49.120 22.750 2.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23312 ATOM 23308 HW2 SOL 7245 50.040 21.770 1.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23313 ATOM 23309 OW SOL 7246 41.030 22.030 3.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23314 ATOM 23310 HW1 SOL 7246 41.510 22.890 3.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23315 ATOM 23311 HW2 SOL 7246 40.320 21.910 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23316 ATOM 23312 OW SOL 7247 54.370 30.450 14.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23317 ATOM 23313 HW1 SOL 7247 55.160 29.850 14.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23318 ATOM 23314 HW2 SOL 7247 54.700 31.390 14.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23319 ATOM 23315 OW SOL 7248 48.150 29.270 13.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23320 ATOM 23316 HW1 SOL 7248 47.720 29.410 14.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23321 ATOM 23317 HW2 SOL 7248 49.110 29.030 13.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23322 ATOM 23318 OW SOL 7249 52.790 33.540 14.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23323 ATOM 23319 HW1 SOL 7249 52.570 34.500 14.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23324 ATOM 23320 HW2 SOL 7249 53.730 33.450 14.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23325 ATOM 23321 OW SOL 7250 48.240 30.040 10.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23326 ATOM 23322 HW1 SOL 7250 48.120 29.790 11.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23327 ATOM 23323 HW2 SOL 7250 48.540 29.240 9.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23328 ATOM 23324 OW SOL 7251 52.370 28.530 9.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23329 ATOM 23325 HW1 SOL 7251 52.520 29.270 10.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23330 ATOM 23326 HW2 SOL 7251 52.100 28.900 8.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23331 ATOM 23327 OW SOL 7252 48.670 16.550 14.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23332 ATOM 23328 HW1 SOL 7252 48.270 16.480 13.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23333 ATOM 23329 HW2 SOL 7252 49.640 16.770 14.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23334 ATOM 23330 OW SOL 7253 46.080 29.030 18.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23335 ATOM 23331 HW1 SOL 7253 45.150 29.400 18.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23336 ATOM 23332 HW2 SOL 7253 46.200 28.370 18.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23337 ATOM 23333 OW SOL 7254 47.780 28.610 3.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23338 ATOM 23334 HW1 SOL 7254 47.830 27.810 4.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23339 ATOM 23335 HW2 SOL 7254 48.280 28.440 2.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23340 ATOM 23336 OW SOL 7255 42.440 25.730 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23341 ATOM 23337 HW1 SOL 7255 43.100 25.340 13.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23342 ATOM 23338 HW2 SOL 7255 41.950 24.980 12.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23343 ATOM 23339 OW SOL 7256 48.990 20.450 14.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23344 ATOM 23340 HW1 SOL 7256 49.290 21.400 14.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23345 ATOM 23341 HW2 SOL 7256 47.990 20.410 14.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23346 ATOM 23342 OW SOL 7257 36.800 34.360 14.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23347 ATOM 23343 HW1 SOL 7257 36.640 34.900 15.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23348 ATOM 23344 HW2 SOL 7257 37.510 34.790 13.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23349 ATOM 23345 OW SOL 7258 40.660 28.170 3.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23350 ATOM 23346 HW1 SOL 7258 40.800 27.180 3.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23351 ATOM 23347 HW2 SOL 7258 41.080 28.580 2.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23352 ATOM 23348 OW SOL 7259 41.260 24.050 8.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23353 ATOM 23349 HW1 SOL 7259 41.270 24.530 7.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23354 ATOM 23350 HW2 SOL 7259 42.190 23.980 9.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23355 ATOM 23351 OW SOL 7260 49.170 31.360 4.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23356 ATOM 23352 HW1 SOL 7260 49.730 32.130 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23357 ATOM 23353 HW2 SOL 7260 48.210 31.620 4.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23358 ATOM 23354 OW SOL 7261 50.140 32.370 10.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23359 ATOM 23355 HW1 SOL 7261 50.300 32.760 11.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23360 ATOM 23356 HW2 SOL 7261 49.580 31.560 10.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23361 ATOM 23357 OW SOL 7262 51.600 23.440 4.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23362 ATOM 23358 HW1 SOL 7262 51.740 24.130 5.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23363 ATOM 23359 HW2 SOL 7262 50.910 23.760 4.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23364 ATOM 23360 OW SOL 7263 40.850 33.500 12.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23365 ATOM 23361 HW1 SOL 7263 40.720 32.900 11.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23366 ATOM 23362 HW2 SOL 7263 41.800 33.790 12.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23367 ATOM 23363 OW SOL 7264 40.570 24.260 17.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23368 ATOM 23364 HW1 SOL 7264 40.310 25.110 16.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23369 ATOM 23365 HW2 SOL 7264 41.530 24.060 16.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23370 ATOM 23366 OW SOL 7265 53.950 28.200 19.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23371 ATOM 23367 HW1 SOL 7265 53.110 28.390 20.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23372 ATOM 23368 HW2 SOL 7265 53.830 28.420 18.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23373 ATOM 23369 OW SOL 7266 46.240 18.570 17.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23374 ATOM 23370 HW1 SOL 7266 46.980 19.150 18.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23375 ATOM 23371 HW2 SOL 7266 46.390 17.630 18.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23376 ATOM 23372 OW SOL 7267 41.760 17.170 18.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23377 ATOM 23373 HW1 SOL 7267 41.760 17.670 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23378 ATOM 23374 HW2 SOL 7267 41.080 17.560 18.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23379 ATOM 23375 OW SOL 7268 44.290 26.720 11.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23380 ATOM 23376 HW1 SOL 7268 44.350 27.710 11.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23381 ATOM 23377 HW2 SOL 7268 43.700 26.510 11.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23382 ATOM 23378 OW SOL 7269 50.280 26.780 10.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23383 ATOM 23379 HW1 SOL 7269 49.360 27.040 10.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23384 ATOM 23380 HW2 SOL 7269 50.930 27.470 10.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23385 ATOM 23381 OW SOL 7270 47.880 22.860 3.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23386 ATOM 23382 HW1 SOL 7270 47.520 22.780 4.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23387 ATOM 23383 HW2 SOL 7270 47.200 23.290 2.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23388 ATOM 23384 OW SOL 7271 40.600 21.230 13.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23389 ATOM 23385 HW1 SOL 7271 40.000 21.120 14.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23390 ATOM 23386 HW2 SOL 7271 40.860 20.330 13.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23391 ATOM 23387 OW SOL 7272 38.420 27.830 12.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23392 ATOM 23388 HW1 SOL 7272 39.380 27.970 12.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23393 ATOM 23389 HW2 SOL 7272 37.850 27.920 13.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23394 ATOM 23390 OW SOL 7273 44.170 24.430 10.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23395 ATOM 23391 HW1 SOL 7273 44.900 24.360 9.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23396 ATOM 23392 HW2 SOL 7273 44.050 25.390 10.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23397 ATOM 23393 OW SOL 7274 54.790 31.220 20.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23398 ATOM 23394 HW1 SOL 7274 53.910 31.490 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23399 ATOM 23395 HW2 SOL 7274 55.000 30.280 21.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23400 ATOM 23396 OW SOL 7275 39.020 19.490 6.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23401 ATOM 23397 HW1 SOL 7275 39.530 20.350 6.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23402 ATOM 23398 HW2 SOL 7275 38.340 19.450 5.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23403 ATOM 23399 OW SOL 7276 52.900 21.700 2.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23404 ATOM 23400 HW1 SOL 7276 53.340 20.900 3.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23405 ATOM 23401 HW2 SOL 7276 52.450 22.240 3.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23406 ATOM 23402 OW SOL 7277 47.060 24.990 9.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23407 ATOM 23403 HW1 SOL 7277 47.320 25.010 10.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23408 ATOM 23404 HW2 SOL 7277 46.800 24.060 9.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23409 ATOM 23405 OW SOL 7278 46.640 31.670 18.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23410 ATOM 23406 HW1 SOL 7278 45.790 31.690 17.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23411 ATOM 23407 HW2 SOL 7278 46.850 30.730 18.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23412 ATOM 23408 OW SOL 7279 55.750 32.840 15.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23413 ATOM 23409 HW1 SOL 7279 55.680 33.830 15.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23414 ATOM 23410 HW2 SOL 7279 56.250 32.590 15.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23415 ATOM 23411 OW SOL 7280 39.960 24.450 19.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23416 ATOM 23412 HW1 SOL 7280 40.520 23.740 20.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23417 ATOM 23413 HW2 SOL 7280 40.140 24.470 18.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23418 ATOM 23414 OW SOL 7281 51.060 20.280 1.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23419 ATOM 23415 HW1 SOL 7281 50.800 19.430 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23420 ATOM 23416 HW2 SOL 7281 51.800 20.720 1.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23421 ATOM 23417 OW SOL 7282 49.450 25.050 0.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23422 ATOM 23418 HW1 SOL 7282 49.490 24.110 1.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23423 ATOM 23419 HW2 SOL 7282 50.030 25.140 -0.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23424 ATOM 23420 OW SOL 7283 47.040 30.670 6.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23425 ATOM 23421 HW1 SOL 7283 47.410 29.990 5.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23426 ATOM 23422 HW2 SOL 7283 47.700 31.420 6.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23427 ATOM 23423 OW SOL 7284 38.070 25.030 8.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23428 ATOM 23424 HW1 SOL 7284 39.040 24.840 8.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23429 ATOM 23425 HW2 SOL 7284 37.910 25.220 9.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23430 ATOM 23426 OW SOL 7285 39.640 22.640 10.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23431 ATOM 23427 HW1 SOL 7285 39.800 21.660 10.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23432 ATOM 23428 HW2 SOL 7285 40.250 23.160 9.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23433 ATOM 23429 OW SOL 7286 48.550 20.050 19.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23434 ATOM 23430 HW1 SOL 7286 48.280 20.980 19.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23435 ATOM 23431 HW2 SOL 7286 48.980 19.630 19.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23436 ATOM 23432 OW SOL 7287 50.220 19.330 16.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23437 ATOM 23433 HW1 SOL 7287 49.700 19.430 17.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23438 ATOM 23434 HW2 SOL 7287 49.710 19.750 16.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23439 ATOM 23435 OW SOL 7288 38.720 30.440 3.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23440 ATOM 23436 HW1 SOL 7288 37.800 30.380 2.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23441 ATOM 23437 HW2 SOL 7288 39.180 29.560 3.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23442 ATOM 23438 OW SOL 7289 38.490 35.250 10.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23443 ATOM 23439 HW1 SOL 7289 38.020 34.380 10.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23444 ATOM 23440 HW2 SOL 7289 39.290 35.330 9.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23445 ATOM 23441 OW SOL 7290 42.390 32.440 9.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23446 ATOM 23442 HW1 SOL 7290 42.670 33.330 8.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23447 ATOM 23443 HW2 SOL 7290 42.750 31.720 8.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23448 ATOM 23444 OW SOL 7291 46.700 25.070 12.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23449 ATOM 23445 HW1 SOL 7291 46.260 24.230 12.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23450 ATOM 23446 HW2 SOL 7291 46.000 25.680 11.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23451 ATOM 23447 OW SOL 7292 37.860 25.460 11.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23452 ATOM 23448 HW1 SOL 7292 38.040 26.410 11.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23453 ATOM 23449 HW2 SOL 7292 37.980 24.890 12.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23454 ATOM 23450 OW SOL 7293 38.260 22.430 17.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23455 ATOM 23451 HW1 SOL 7293 38.910 23.140 17.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23456 ATOM 23452 HW2 SOL 7293 37.360 22.660 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23457 ATOM 23453 OW SOL 7294 51.060 27.760 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23458 ATOM 23454 HW1 SOL 7294 51.870 28.340 16.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23459 ATOM 23455 HW2 SOL 7294 51.120 27.310 15.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23460 ATOM 23456 OW SOL 7295 43.320 23.190 5.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23461 ATOM 23457 HW1 SOL 7295 42.620 22.490 5.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23462 ATOM 23458 HW2 SOL 7295 42.930 23.980 6.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23463 ATOM 23459 OW SOL 7296 53.560 23.600 11.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23464 ATOM 23460 HW1 SOL 7296 53.710 23.220 12.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23465 ATOM 23461 HW2 SOL 7296 54.380 23.490 10.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23466 ATOM 23462 OW SOL 7297 38.290 36.570 19.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23467 ATOM 23463 HW1 SOL 7297 38.260 37.450 20.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23468 ATOM 23464 HW2 SOL 7297 37.790 35.880 20.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23469 ATOM 23465 OW SOL 7298 44.870 22.420 12.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23470 ATOM 23466 HW1 SOL 7298 44.090 21.800 12.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23471 ATOM 23467 HW2 SOL 7298 44.700 23.080 11.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23472 ATOM 23468 OW SOL 7299 46.080 32.590 12.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23473 ATOM 23469 HW1 SOL 7299 46.020 32.310 11.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23474 ATOM 23470 HW2 SOL 7299 45.170 32.860 13.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23475 ATOM 23471 OW SOL 7300 38.830 21.950 1.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23476 ATOM 23472 HW1 SOL 7300 38.550 22.910 1.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23477 ATOM 23473 HW2 SOL 7300 38.090 21.380 1.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23478 ATOM 23474 OW SOL 7301 39.310 29.040 15.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23479 ATOM 23475 HW1 SOL 7301 39.080 28.600 16.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23480 ATOM 23476 HW2 SOL 7301 39.730 28.360 15.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23481 ATOM 23477 OW SOL 7302 49.590 25.410 12.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23482 ATOM 23478 HW1 SOL 7302 49.790 25.850 11.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23483 ATOM 23479 HW2 SOL 7302 48.600 25.360 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23484 ATOM 23480 OW SOL 7303 49.950 25.340 3.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23485 ATOM 23481 HW1 SOL 7303 49.150 24.800 3.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23486 ATOM 23482 HW2 SOL 7303 49.870 25.600 2.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23487 ATOM 23483 OW SOL 7304 53.950 36.020 11.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23488 ATOM 23484 HW1 SOL 7304 54.760 36.600 11.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23489 ATOM 23485 HW2 SOL 7304 54.120 35.120 11.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23490 ATOM 23486 OW SOL 7305 48.620 34.880 9.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23491 ATOM 23487 HW1 SOL 7305 49.480 35.370 9.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23492 ATOM 23488 HW2 SOL 7305 48.800 34.060 9.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23493 ATOM 23489 OW SOL 7306 38.190 29.010 10.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23494 ATOM 23490 HW1 SOL 7306 38.520 28.560 10.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23495 ATOM 23491 HW2 SOL 7306 37.210 28.840 10.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23496 ATOM 23492 OW SOL 7307 44.040 35.170 16.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23497 ATOM 23493 HW1 SOL 7307 43.350 35.900 16.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23498 ATOM 23494 HW2 SOL 7307 44.770 35.370 17.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23499 ATOM 23495 OW SOL 7308 47.670 17.720 0.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23500 ATOM 23496 HW1 SOL 7308 47.810 17.500 -0.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23501 ATOM 23497 HW2 SOL 7308 48.270 17.150 1.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23502 ATOM 23498 OW SOL 7309 54.050 19.640 4.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23503 ATOM 23499 HW1 SOL 7309 54.870 19.810 4.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23504 ATOM 23500 HW2 SOL 7309 54.250 18.990 5.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23505 ATOM 23501 OW SOL 7310 50.510 34.010 4.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23506 ATOM 23502 HW1 SOL 7310 51.510 34.070 4.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23507 ATOM 23503 HW2 SOL 7310 50.150 34.600 3.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23508 ATOM 23504 OW SOL 7311 35.630 38.220 18.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23509 ATOM 23505 HW1 SOL 7311 34.630 38.200 18.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23510 ATOM 23506 HW2 SOL 7311 35.930 38.180 19.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23511 ATOM 23507 OW SOL 7312 49.760 26.880 6.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23512 ATOM 23508 HW1 SOL 7312 50.660 26.550 6.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23513 ATOM 23509 HW2 SOL 7312 49.840 27.770 6.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23514 ATOM 23510 OW SOL 7313 44.190 30.050 14.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23515 ATOM 23511 HW1 SOL 7313 44.280 30.950 15.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23516 ATOM 23512 HW2 SOL 7313 43.670 30.140 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23517 ATOM 23513 OW SOL 7314 44.370 33.240 1.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23518 ATOM 23514 HW1 SOL 7314 43.940 33.580 0.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23519 ATOM 23515 HW2 SOL 7314 43.830 32.480 1.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23520 ATOM 23516 OW SOL 7315 52.240 36.120 14.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23521 ATOM 23517 HW1 SOL 7315 52.650 36.470 13.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23522 ATOM 23518 HW2 SOL 7315 51.330 36.510 14.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23523 ATOM 23519 OW SOL 7316 54.360 20.070 10.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23524 ATOM 23520 HW1 SOL 7316 54.800 19.180 10.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23525 ATOM 23521 HW2 SOL 7316 53.370 19.960 10.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23526 ATOM 23522 OW SOL 7317 39.110 22.830 7.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23527 ATOM 23523 HW1 SOL 7317 38.190 22.750 7.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23528 ATOM 23524 HW2 SOL 7317 39.130 22.420 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23529 ATOM 23525 OW SOL 7318 49.450 33.090 0.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23530 ATOM 23526 HW1 SOL 7318 49.540 32.090 0.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23531 ATOM 23527 HW2 SOL 7318 49.270 33.410 -0.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23532 ATOM 23528 OW SOL 7319 45.450 27.680 14.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23533 ATOM 23529 HW1 SOL 7319 46.090 27.840 13.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23534 ATOM 23530 HW2 SOL 7319 44.850 28.480 14.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23535 ATOM 23531 OW SOL 7320 44.460 26.170 3.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23536 ATOM 23532 HW1 SOL 7320 45.010 25.490 4.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23537 ATOM 23533 HW2 SOL 7320 44.080 26.820 4.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23538 ATOM 23534 OW SOL 7321 51.780 33.470 1.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23539 ATOM 23535 HW1 SOL 7321 50.870 33.070 1.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23540 ATOM 23536 HW2 SOL 7321 51.900 34.170 1.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23541 ATOM 23537 OW SOL 7322 40.350 31.800 14.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23542 ATOM 23538 HW1 SOL 7322 40.600 32.420 13.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23543 ATOM 23539 HW2 SOL 7322 39.930 30.980 14.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23544 ATOM 23540 OW SOL 7323 52.740 30.560 12.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23545 ATOM 23541 HW1 SOL 7323 53.140 30.540 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23546 ATOM 23542 HW2 SOL 7323 52.180 31.380 12.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23547 ATOM 23543 OW SOL 7324 48.430 27.790 8.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23548 ATOM 23544 HW1 SOL 7324 47.450 27.660 8.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23549 ATOM 23545 HW2 SOL 7324 48.940 27.550 7.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23550 ATOM 23546 OW SOL 7325 46.830 18.490 11.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23551 ATOM 23547 HW1 SOL 7325 46.510 18.760 10.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23552 ATOM 23548 HW2 SOL 7325 46.800 17.500 11.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23553 ATOM 23549 OW SOL 7326 42.850 33.030 4.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23554 ATOM 23550 HW1 SOL 7326 43.090 33.880 4.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23555 ATOM 23551 HW2 SOL 7326 42.030 33.180 5.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23556 ATOM 23552 OW SOL 7327 53.960 22.030 13.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23557 ATOM 23553 HW1 SOL 7327 54.720 21.830 14.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23558 ATOM 23554 HW2 SOL 7327 53.270 21.310 13.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23559 ATOM 23555 OW SOL 7328 40.380 33.590 5.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23560 ATOM 23556 HW1 SOL 7328 40.360 33.450 4.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23561 ATOM 23557 HW2 SOL 7328 39.470 33.450 6.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23562 ATOM 23558 OW SOL 7329 39.660 27.070 18.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23563 ATOM 23559 HW1 SOL 7329 38.670 27.210 18.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23564 ATOM 23560 HW2 SOL 7329 39.970 26.380 19.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23565 ATOM 23561 OW SOL 7330 45.510 18.320 13.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23566 ATOM 23562 HW1 SOL 7330 44.990 17.470 13.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23567 ATOM 23563 HW2 SOL 7330 45.850 18.400 12.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23568 ATOM 23564 OW SOL 7331 36.360 21.190 0.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23569 ATOM 23565 HW1 SOL 7331 35.900 21.000 -0.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23570 ATOM 23566 HW2 SOL 7331 36.170 22.130 0.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23571 ATOM 23567 OW SOL 7332 51.660 26.400 14.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23572 ATOM 23568 HW1 SOL 7332 50.850 26.080 14.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23573 ATOM 23569 HW2 SOL 7332 52.430 26.460 13.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23574 ATOM 23570 OW SOL 7333 37.200 19.000 2.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23575 ATOM 23571 HW1 SOL 7333 36.990 19.840 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23576 ATOM 23572 HW2 SOL 7333 38.100 18.670 1.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23577 ATOM 23573 OW SOL 7334 49.590 30.420 1.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23578 ATOM 23574 HW1 SOL 7334 49.090 29.570 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23579 ATOM 23575 HW2 SOL 7334 49.470 30.680 2.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23580 ATOM 23576 OW SOL 7335 44.890 24.950 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23581 ATOM 23577 HW1 SOL 7335 45.070 25.930 14.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23582 ATOM 23578 HW2 SOL 7335 45.750 24.450 14.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23583 ATOM 23579 OW SOL 7336 51.210 36.110 9.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23584 ATOM 23580 HW1 SOL 7336 51.630 36.270 8.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23585 ATOM 23581 HW2 SOL 7336 51.900 35.770 10.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23586 ATOM 23582 OW SOL 7337 45.670 22.960 18.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23587 ATOM 23583 HW1 SOL 7337 46.580 23.040 18.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23588 ATOM 23584 HW2 SOL 7337 45.420 22.000 18.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23589 ATOM 23585 OW SOL 7338 52.970 29.480 16.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23590 ATOM 23586 HW1 SOL 7338 52.490 30.230 17.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23591 ATOM 23587 HW2 SOL 7338 53.370 29.810 16.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23592 ATOM 23588 OW SOL 7339 40.080 35.260 17.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23593 ATOM 23589 HW1 SOL 7339 39.600 34.530 17.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23594 ATOM 23590 HW2 SOL 7339 39.440 35.760 18.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23595 ATOM 23591 OW SOL 7340 53.670 26.580 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23596 ATOM 23592 HW1 SOL 7340 53.570 25.730 12.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23597 ATOM 23593 HW2 SOL 7340 54.070 27.280 12.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23598 ATOM 23594 OW SOL 7341 48.550 20.670 5.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23599 ATOM 23595 HW1 SOL 7341 49.370 20.530 4.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23600 ATOM 23596 HW2 SOL 7341 48.750 21.330 6.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23601 ATOM 23597 OW SOL 7342 41.690 25.480 6.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23602 ATOM 23598 HW1 SOL 7342 42.180 26.330 6.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23603 ATOM 23599 HW2 SOL 7342 40.890 25.410 5.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23604 ATOM 23600 OW SOL 7343 51.720 20.360 14.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23605 ATOM 23601 HW1 SOL 7343 50.750 20.160 14.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23606 ATOM 23602 HW2 SOL 7343 51.850 21.030 14.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23607 ATOM 23603 OW SOL 7344 52.850 24.940 16.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23608 ATOM 23604 HW1 SOL 7344 52.560 25.730 16.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23609 ATOM 23605 HW2 SOL 7344 53.850 24.870 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23610 ATOM 23606 OW SOL 7345 46.420 30.590 72.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23611 ATOM 23607 HW1 SOL 7345 46.570 30.610 73.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23612 ATOM 23608 HW2 SOL 7345 46.270 31.510 71.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23613 ATOM 23609 OW SOL 7346 43.650 35.010 8.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23614 ATOM 23610 HW1 SOL 7346 43.200 35.900 8.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23615 ATOM 23611 HW2 SOL 7346 44.430 34.920 9.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23616 ATOM 23612 OW SOL 7347 45.430 27.490 8.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23617 ATOM 23613 HW1 SOL 7347 45.620 26.670 9.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23618 ATOM 23614 HW2 SOL 7347 45.140 28.230 9.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23619 ATOM 23615 OW SOL 7348 48.780 27.680 1.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23620 ATOM 23616 HW1 SOL 7348 47.830 27.540 1.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23621 ATOM 23617 HW2 SOL 7348 49.320 26.870 1.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23622 ATOM 23618 OW SOL 7349 55.720 34.030 8.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23623 ATOM 23619 HW1 SOL 7349 55.040 33.860 8.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23624 ATOM 23620 HW2 SOL 7349 55.930 33.170 9.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23625 ATOM 23621 OW SOL 7350 40.940 29.610 18.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23626 ATOM 23622 HW1 SOL 7350 40.610 28.670 18.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23627 ATOM 23623 HW2 SOL 7350 40.180 30.220 19.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23628 ATOM 23624 OW SOL 7351 38.430 30.450 6.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23629 ATOM 23625 HW1 SOL 7351 38.640 29.580 6.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23630 ATOM 23626 HW2 SOL 7351 38.510 30.370 5.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23631 ATOM 23627 OW SOL 7352 44.260 32.500 16.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23632 ATOM 23628 HW1 SOL 7352 43.380 32.220 16.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23633 ATOM 23629 HW2 SOL 7352 44.390 33.470 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23634 ATOM 23630 OW SOL 7353 55.420 19.400 13.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23635 ATOM 23631 HW1 SOL 7353 56.310 19.060 12.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23636 ATOM 23632 HW2 SOL 7353 55.030 20.000 12.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23637 ATOM 23633 OW SOL 7354 41.120 21.570 6.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23638 ATOM 23634 HW1 SOL 7354 40.900 21.870 5.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23639 ATOM 23635 HW2 SOL 7354 40.520 22.050 7.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23640 ATOM 23636 OW SOL 7355 53.590 33.330 10.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23641 ATOM 23637 HW1 SOL 7355 52.700 33.370 10.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23642 ATOM 23638 HW2 SOL 7355 53.890 32.380 10.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23643 ATOM 23639 OW SOL 7356 40.800 23.570 12.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23644 ATOM 23640 HW1 SOL 7356 40.730 22.790 13.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23645 ATOM 23641 HW2 SOL 7356 40.440 23.310 11.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23646 ATOM 23642 OW SOL 7357 45.230 34.660 6.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23647 ATOM 23643 HW1 SOL 7357 45.030 35.480 5.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23648 ATOM 23644 HW2 SOL 7357 44.570 34.580 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23649 ATOM 23645 OW SOL 7358 49.260 19.190 11.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23650 ATOM 23646 HW1 SOL 7358 48.430 18.760 11.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23651 ATOM 23647 HW2 SOL 7358 49.090 19.550 12.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23652 ATOM 23648 OW SOL 7359 47.540 15.830 11.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23653 ATOM 23649 HW1 SOL 7359 46.940 15.050 11.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23654 ATOM 23650 HW2 SOL 7359 48.290 15.570 10.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23655 ATOM 23651 OW SOL 7360 46.260 30.650 2.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23656 ATOM 23652 HW1 SOL 7360 46.330 29.820 2.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23657 ATOM 23653 HW2 SOL 7360 46.520 31.440 2.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23658 ATOM 23654 OW SOL 7361 43.750 33.200 13.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23659 ATOM 23655 HW1 SOL 7361 43.290 34.090 13.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23660 ATOM 23656 HW2 SOL 7361 43.900 32.800 14.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23661 ATOM 23657 OW SOL 7362 51.170 17.810 2.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23662 ATOM 23658 HW1 SOL 7362 51.900 17.170 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23663 ATOM 23659 HW2 SOL 7362 50.300 17.320 2.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23664 ATOM 23660 OW SOL 7363 48.670 22.150 7.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23665 ATOM 23661 HW1 SOL 7363 48.680 23.120 7.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23666 ATOM 23662 HW2 SOL 7363 48.000 21.990 8.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23667 ATOM 23663 OW SOL 7364 51.730 19.570 10.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23668 ATOM 23664 HW1 SOL 7364 51.010 19.490 11.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23669 ATOM 23665 HW2 SOL 7364 51.430 20.210 9.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23670 ATOM 23666 OW SOL 7365 38.510 27.860 1.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23671 ATOM 23667 HW1 SOL 7365 39.450 27.630 1.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23672 ATOM 23668 HW2 SOL 7365 37.890 27.470 2.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23673 ATOM 23669 OW SOL 7366 45.740 35.280 2.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23674 ATOM 23670 HW1 SOL 7366 45.110 34.580 1.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23675 ATOM 23671 HW2 SOL 7366 45.360 35.640 3.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23676 ATOM 23672 OW SOL 7367 39.550 21.720 21.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23677 ATOM 23673 HW1 SOL 7367 38.680 22.200 21.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23678 ATOM 23674 HW2 SOL 7367 39.900 21.430 20.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23679 ATOM 23675 OW SOL 7368 39.670 20.410 27.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23680 ATOM 23676 HW1 SOL 7368 39.440 21.060 26.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23681 ATOM 23677 HW2 SOL 7368 38.970 19.700 27.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23682 ATOM 23678 OW SOL 7369 35.680 22.020 25.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23683 ATOM 23679 HW1 SOL 7369 34.860 22.170 26.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23684 ATOM 23680 HW2 SOL 7369 35.440 21.520 25.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23685 ATOM 23681 OW SOL 7370 53.900 33.500 23.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23686 ATOM 23682 HW1 SOL 7370 53.430 34.260 23.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23687 ATOM 23683 HW2 SOL 7370 54.820 33.400 23.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23688 ATOM 23684 OW SOL 7371 44.640 25.260 26.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23689 ATOM 23685 HW1 SOL 7371 44.130 26.100 26.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23690 ATOM 23686 HW2 SOL 7371 44.010 24.480 26.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23691 ATOM 23687 OW SOL 7372 54.510 24.440 23.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23692 ATOM 23688 HW1 SOL 7372 54.810 25.040 22.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23693 ATOM 23689 HW2 SOL 7372 54.110 23.610 22.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23694 ATOM 23690 OW SOL 7373 50.420 33.720 32.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23695 ATOM 23691 HW1 SOL 7373 49.760 34.270 32.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23696 ATOM 23692 HW2 SOL 7373 51.310 34.180 32.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23697 ATOM 23693 OW SOL 7374 50.460 25.200 25.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23698 ATOM 23694 HW1 SOL 7374 49.770 25.590 24.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23699 ATOM 23695 HW2 SOL 7374 50.080 24.410 25.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23700 ATOM 23696 OW SOL 7375 43.240 23.590 19.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23701 ATOM 23697 HW1 SOL 7375 44.070 23.570 18.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23702 ATOM 23698 HW2 SOL 7375 43.330 24.300 19.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23703 ATOM 23699 OW SOL 7376 52.380 18.300 34.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23704 ATOM 23700 HW1 SOL 7376 53.320 18.630 34.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23705 ATOM 23701 HW2 SOL 7376 51.870 18.580 34.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23706 ATOM 23702 OW SOL 7377 39.440 24.960 23.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23707 ATOM 23703 HW1 SOL 7377 38.960 24.200 23.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23708 ATOM 23704 HW2 SOL 7377 38.950 25.240 24.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23709 ATOM 23705 OW SOL 7378 56.490 35.920 20.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23710 ATOM 23706 HW1 SOL 7378 57.440 36.050 20.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23711 ATOM 23707 HW2 SOL 7378 55.900 36.550 20.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23712 ATOM 23708 OW SOL 7379 37.400 34.480 21.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23713 ATOM 23709 HW1 SOL 7379 37.000 33.590 21.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23714 ATOM 23710 HW2 SOL 7379 36.670 35.150 21.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23715 ATOM 23711 OW SOL 7380 54.610 27.540 27.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23716 ATOM 23712 HW1 SOL 7380 54.900 27.110 26.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23717 ATOM 23713 HW2 SOL 7380 54.150 28.400 27.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23718 ATOM 23714 OW SOL 7381 53.000 27.840 22.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23719 ATOM 23715 HW1 SOL 7381 54.000 27.790 22.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23720 ATOM 23716 HW2 SOL 7381 52.650 28.070 23.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23721 ATOM 23717 OW SOL 7382 43.930 16.860 25.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23722 ATOM 23718 HW1 SOL 7382 44.020 17.860 25.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23723 ATOM 23719 HW2 SOL 7382 42.960 16.620 25.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23724 ATOM 23720 OW SOL 7383 51.590 29.040 20.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23725 ATOM 23721 HW1 SOL 7383 50.980 28.550 20.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23726 ATOM 23722 HW2 SOL 7383 51.880 28.430 21.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23727 ATOM 23723 OW SOL 7384 51.480 31.050 27.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23728 ATOM 23724 HW1 SOL 7384 51.290 31.920 26.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23729 ATOM 23725 HW2 SOL 7384 51.100 30.310 26.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23730 ATOM 23726 OW SOL 7385 56.200 37.850 26.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23731 ATOM 23727 HW1 SOL 7385 56.610 36.970 25.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23732 ATOM 23728 HW2 SOL 7385 55.430 37.710 26.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23733 ATOM 23729 OW SOL 7386 42.940 25.450 21.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23734 ATOM 23730 HW1 SOL 7386 43.630 26.100 21.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23735 ATOM 23731 HW2 SOL 7386 42.070 25.920 21.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23736 ATOM 23732 OW SOL 7387 47.250 20.200 29.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23737 ATOM 23733 HW1 SOL 7387 47.300 19.550 28.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23738 ATOM 23734 HW2 SOL 7387 47.940 19.960 29.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23739 ATOM 23735 OW SOL 7388 51.630 34.840 21.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23740 ATOM 23736 HW1 SOL 7388 52.380 34.190 21.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23741 ATOM 23737 HW2 SOL 7388 51.590 35.270 20.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23742 ATOM 23738 OW SOL 7389 47.110 24.110 29.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23743 ATOM 23739 HW1 SOL 7389 46.980 23.820 28.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23744 ATOM 23740 HW2 SOL 7389 46.990 25.100 29.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23745 ATOM 23741 OW SOL 7390 45.340 24.870 23.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23746 ATOM 23742 HW1 SOL 7390 45.250 24.970 24.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23747 ATOM 23743 HW2 SOL 7390 44.700 24.180 23.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23748 ATOM 23744 OW SOL 7391 45.480 21.200 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23749 ATOM 23745 HW1 SOL 7391 46.120 21.520 21.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23750 ATOM 23746 HW2 SOL 7391 44.690 20.760 21.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23751 ATOM 23747 OW SOL 7392 54.870 21.990 38.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23752 ATOM 23748 HW1 SOL 7392 55.040 22.910 38.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23753 ATOM 23749 HW2 SOL 7392 54.240 21.510 38.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23754 ATOM 23750 OW SOL 7393 49.640 28.890 24.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23755 ATOM 23751 HW1 SOL 7393 49.040 28.260 23.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23756 ATOM 23752 HW2 SOL 7393 49.650 29.780 23.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23757 ATOM 23753 OW SOL 7394 42.230 18.330 27.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23758 ATOM 23754 HW1 SOL 7394 41.400 18.600 26.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23759 ATOM 23755 HW2 SOL 7394 43.010 18.840 26.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23760 ATOM 23756 OW SOL 7395 49.620 33.980 24.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23761 ATOM 23757 HW1 SOL 7395 48.720 34.410 24.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23762 ATOM 23758 HW2 SOL 7395 50.230 34.480 23.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23763 ATOM 23759 OW SOL 7396 53.940 30.420 28.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23764 ATOM 23760 HW1 SOL 7396 53.130 30.700 28.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23765 ATOM 23761 HW2 SOL 7396 53.730 30.430 29.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23766 ATOM 23762 OW SOL 7397 37.540 23.590 20.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23767 ATOM 23763 HW1 SOL 7397 38.270 24.110 20.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23768 ATOM 23764 HW2 SOL 7397 36.950 23.180 20.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23769 ATOM 23765 OW SOL 7398 51.750 26.700 27.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23770 ATOM 23766 HW1 SOL 7398 51.260 26.060 26.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23771 ATOM 23767 HW2 SOL 7398 52.730 26.500 27.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23772 ATOM 23768 OW SOL 7399 48.480 33.650 19.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23773 ATOM 23769 HW1 SOL 7399 47.730 33.860 18.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23774 ATOM 23770 HW2 SOL 7399 48.590 32.660 19.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23775 ATOM 23771 OW SOL 7400 52.880 33.680 18.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23776 ATOM 23772 HW1 SOL 7400 52.220 33.930 18.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23777 ATOM 23773 HW2 SOL 7400 52.860 32.680 18.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23778 ATOM 23774 OW SOL 7401 50.670 21.490 24.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23779 ATOM 23775 HW1 SOL 7401 51.590 21.810 25.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23780 ATOM 23776 HW2 SOL 7401 50.490 21.670 23.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23781 ATOM 23777 OW SOL 7402 40.120 26.220 21.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23782 ATOM 23778 HW1 SOL 7402 39.950 26.050 22.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23783 ATOM 23779 HW2 SOL 7402 39.900 25.400 20.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23784 ATOM 23780 OW SOL 7403 51.430 18.950 36.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23785 ATOM 23781 HW1 SOL 7403 50.480 19.180 36.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23786 ATOM 23782 HW2 SOL 7403 51.480 18.060 36.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23787 ATOM 23783 OW SOL 7404 43.780 19.530 20.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23788 ATOM 23784 HW1 SOL 7404 44.060 18.600 20.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23789 ATOM 23785 HW2 SOL 7404 43.190 19.520 19.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23790 ATOM 23786 OW SOL 7405 51.310 24.860 33.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23791 ATOM 23787 HW1 SOL 7405 51.590 24.770 34.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23792 ATOM 23788 HW2 SOL 7405 51.520 25.780 32.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23793 ATOM 23789 OW SOL 7406 45.440 21.410 27.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23794 ATOM 23790 HW1 SOL 7406 45.060 20.660 27.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23795 ATOM 23791 HW2 SOL 7406 46.090 21.040 28.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23796 ATOM 23792 OW SOL 7407 41.220 17.910 23.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23797 ATOM 23793 HW1 SOL 7407 40.380 17.920 24.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23798 ATOM 23794 HW2 SOL 7407 41.460 18.840 23.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23799 ATOM 23795 OW SOL 7408 51.780 31.210 18.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23800 ATOM 23796 HW1 SOL 7408 51.670 30.450 19.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23801 ATOM 23797 HW2 SOL 7408 50.880 31.500 18.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23802 ATOM 23798 OW SOL 7409 38.900 17.250 20.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23803 ATOM 23799 HW1 SOL 7409 39.560 17.910 20.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23804 ATOM 23800 HW2 SOL 7409 39.390 16.520 21.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23805 ATOM 23801 OW SOL 7410 46.340 20.180 24.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23806 ATOM 23802 HW1 SOL 7410 46.040 20.620 23.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23807 ATOM 23803 HW2 SOL 7410 47.010 20.760 24.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23808 ATOM 23804 OW SOL 7411 50.470 33.620 26.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23809 ATOM 23805 HW1 SOL 7411 50.380 33.650 25.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23810 ATOM 23806 HW2 SOL 7411 50.780 34.500 26.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23811 ATOM 23807 OW SOL 7412 49.160 37.810 23.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23812 ATOM 23808 HW1 SOL 7412 49.090 38.540 22.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23813 ATOM 23809 HW2 SOL 7412 50.080 37.420 23.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23814 ATOM 23810 OW SOL 7413 47.740 22.440 20.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23815 ATOM 23811 HW1 SOL 7413 47.350 23.360 20.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23816 ATOM 23812 HW2 SOL 7413 48.400 22.430 21.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23817 ATOM 23813 OW SOL 7414 43.910 19.840 25.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23818 ATOM 23814 HW1 SOL 7414 43.230 20.530 25.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23819 ATOM 23815 HW2 SOL 7414 44.800 20.120 25.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23820 ATOM 23816 OW SOL 7415 47.510 17.840 24.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23821 ATOM 23817 HW1 SOL 7415 46.880 18.620 24.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23822 ATOM 23818 HW2 SOL 7415 47.010 16.990 23.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23823 ATOM 23819 OW SOL 7416 50.000 28.780 26.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23824 ATOM 23820 HW1 SOL 7416 50.710 28.120 27.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23825 ATOM 23821 HW2 SOL 7416 49.650 28.550 25.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23826 ATOM 23822 OW SOL 7417 50.550 23.450 27.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23827 ATOM 23823 HW1 SOL 7417 51.380 23.400 28.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23828 ATOM 23824 HW2 SOL 7417 50.230 22.530 27.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23829 ATOM 23825 OW SOL 7418 55.310 25.980 25.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23830 ATOM 23826 HW1 SOL 7418 56.290 26.150 25.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23831 ATOM 23827 HW2 SOL 7418 55.110 25.370 24.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23832 ATOM 23828 OW SOL 7419 42.570 34.020 20.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23833 ATOM 23829 HW1 SOL 7419 41.980 33.500 20.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23834 ATOM 23830 HW2 SOL 7419 42.070 34.190 19.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23835 ATOM 23831 OW SOL 7420 52.740 31.200 23.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23836 ATOM 23832 HW1 SOL 7420 53.390 30.860 24.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23837 ATOM 23833 HW2 SOL 7420 53.030 32.100 23.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23838 ATOM 23834 OW SOL 7421 50.460 24.620 18.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23839 ATOM 23835 HW1 SOL 7421 50.630 23.810 19.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23840 ATOM 23836 HW2 SOL 7421 51.220 24.740 17.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23841 ATOM 23837 OW SOL 7422 41.970 20.300 22.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23842 ATOM 23838 HW1 SOL 7422 42.710 20.120 21.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23843 ATOM 23839 HW2 SOL 7422 41.150 20.580 22.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23844 ATOM 23840 OW SOL 7423 53.730 31.990 35.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23845 ATOM 23841 HW1 SOL 7423 53.860 31.530 36.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23846 ATOM 23842 HW2 SOL 7423 54.260 32.840 35.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23847 ATOM 23843 OW SOL 7424 52.030 36.250 36.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23848 ATOM 23844 HW1 SOL 7424 52.080 36.970 36.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23849 ATOM 23845 HW2 SOL 7424 52.930 36.100 37.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23850 ATOM 23846 OW SOL 7425 52.600 30.440 30.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23851 ATOM 23847 HW1 SOL 7425 52.340 30.380 31.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23852 ATOM 23848 HW2 SOL 7425 52.250 29.650 30.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23853 ATOM 23849 OW SOL 7426 44.090 20.300 33.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23854 ATOM 23850 HW1 SOL 7426 44.240 20.330 34.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23855 ATOM 23851 HW2 SOL 7426 44.640 19.570 32.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23856 ATOM 23852 OW SOL 7427 49.160 22.730 31.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23857 ATOM 23853 HW1 SOL 7427 49.790 23.350 31.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23858 ATOM 23854 HW2 SOL 7427 48.570 23.250 30.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23859 ATOM 23855 OW SOL 7428 43.210 22.900 27.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23860 ATOM 23856 HW1 SOL 7428 42.720 22.370 26.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23861 ATOM 23857 HW2 SOL 7428 44.060 22.430 27.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23862 ATOM 23858 OW SOL 7429 50.170 31.540 22.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23863 ATOM 23859 HW1 SOL 7429 49.830 32.390 23.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23864 ATOM 23860 HW2 SOL 7429 51.010 31.270 23.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23865 ATOM 23861 OW SOL 7430 51.730 25.870 21.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23866 ATOM 23862 HW1 SOL 7430 50.800 26.220 21.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23867 ATOM 23863 HW2 SOL 7430 52.380 26.410 21.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23868 ATOM 23864 OW SOL 7431 54.460 26.940 35.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23869 ATOM 23865 HW1 SOL 7431 53.650 26.440 35.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23870 ATOM 23866 HW2 SOL 7431 54.180 27.750 34.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23871 ATOM 23867 OW SOL 7432 47.980 19.130 35.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23872 ATOM 23868 HW1 SOL 7432 48.140 19.320 34.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23873 ATOM 23869 HW2 SOL 7432 47.530 18.250 35.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23874 ATOM 23870 OW SOL 7433 51.530 28.190 29.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23875 ATOM 23871 HW1 SOL 7433 50.540 28.160 30.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23876 ATOM 23872 HW2 SOL 7433 51.740 27.740 29.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23877 ATOM 23873 OW SOL 7434 48.480 24.160 23.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23878 ATOM 23874 HW1 SOL 7434 49.040 23.450 23.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23879 ATOM 23875 HW2 SOL 7434 47.520 23.900 23.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23880 ATOM 23876 OW SOL 7435 55.430 26.350 38.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23881 ATOM 23877 HW1 SOL 7435 55.350 26.470 37.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23882 ATOM 23878 HW2 SOL 7435 54.620 25.880 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23883 ATOM 23879 OW SOL 7436 38.750 18.030 25.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23884 ATOM 23880 HW1 SOL 7436 38.630 18.930 24.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23885 ATOM 23881 HW2 SOL 7436 38.250 18.000 26.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23886 ATOM 23882 OW SOL 7437 51.800 23.200 20.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23887 ATOM 23883 HW1 SOL 7437 52.640 22.750 21.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23888 ATOM 23884 HW2 SOL 7437 51.880 24.190 20.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23889 ATOM 23885 OW SOL 7438 54.600 34.650 35.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23890 ATOM 23886 HW1 SOL 7438 55.510 34.640 34.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23891 ATOM 23887 HW2 SOL 7438 54.600 35.300 35.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23892 ATOM 23888 OW SOL 7439 49.850 21.770 22.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23893 ATOM 23889 HW1 SOL 7439 49.730 20.770 22.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23894 ATOM 23890 HW2 SOL 7439 50.600 22.050 21.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23895 ATOM 23891 OW SOL 7440 49.830 27.200 19.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23896 ATOM 23892 HW1 SOL 7440 49.930 26.210 19.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23897 ATOM 23893 HW2 SOL 7440 50.240 27.620 18.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23898 ATOM 23894 OW SOL 7441 48.050 20.140 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23899 ATOM 23895 HW1 SOL 7441 47.630 19.460 32.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23900 ATOM 23896 HW2 SOL 7441 48.060 21.030 32.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23901 ATOM 23897 OW SOL 7442 38.980 31.750 19.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23902 ATOM 23898 HW1 SOL 7442 39.410 32.450 18.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23903 ATOM 23899 HW2 SOL 7442 38.060 32.040 19.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23904 ATOM 23900 OW SOL 7443 36.970 22.250 29.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23905 ATOM 23901 HW1 SOL 7443 36.850 21.740 28.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23906 ATOM 23902 HW2 SOL 7443 37.920 22.560 29.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23907 ATOM 23903 OW SOL 7444 43.650 23.050 22.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23908 ATOM 23904 HW1 SOL 7444 44.090 22.540 22.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23909 ATOM 23905 HW2 SOL 7444 43.160 23.830 22.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23910 ATOM 23906 OW SOL 7445 52.620 21.680 29.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23911 ATOM 23907 HW1 SOL 7445 51.840 21.470 29.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23912 ATOM 23908 HW2 SOL 7445 53.260 22.280 29.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23913 ATOM 23909 OW SOL 7446 41.990 34.000 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23914 ATOM 23910 HW1 SOL 7446 42.850 34.500 35.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23915 ATOM 23911 HW2 SOL 7446 41.980 33.450 35.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23916 ATOM 23912 OW SOL 7447 41.480 21.550 18.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23917 ATOM 23913 HW1 SOL 7447 42.000 22.400 18.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23918 ATOM 23914 HW2 SOL 7447 41.070 21.460 17.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23919 ATOM 23915 OW SOL 7448 49.360 26.540 22.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23920 ATOM 23916 HW1 SOL 7448 48.980 25.730 22.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23921 ATOM 23917 HW2 SOL 7448 48.620 27.020 21.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23922 ATOM 23918 OW SOL 7449 52.560 36.160 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23923 ATOM 23919 HW1 SOL 7449 53.050 36.790 30.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23924 ATOM 23920 HW2 SOL 7449 52.720 35.220 29.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23925 ATOM 23921 OW SOL 7450 53.970 22.050 22.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23926 ATOM 23922 HW1 SOL 7450 54.830 21.970 21.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23927 ATOM 23923 HW2 SOL 7450 53.670 21.150 22.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23928 ATOM 23924 OW SOL 7451 52.920 35.350 24.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23929 ATOM 23925 HW1 SOL 7451 52.500 36.070 24.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23930 ATOM 23926 HW2 SOL 7451 52.790 35.560 25.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23931 ATOM 23927 OW SOL 7452 48.400 26.420 27.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23932 ATOM 23928 HW1 SOL 7452 47.850 26.640 28.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23933 ATOM 23929 HW2 SOL 7452 49.130 25.780 27.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23934 ATOM 23930 OW SOL 7453 44.340 35.370 21.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23935 ATOM 23931 HW1 SOL 7453 44.830 36.120 21.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23936 ATOM 23932 HW2 SOL 7453 43.760 34.900 21.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23937 ATOM 23933 OW SOL 7454 52.820 35.480 33.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23938 ATOM 23934 HW1 SOL 7454 52.490 36.400 33.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23939 ATOM 23935 HW2 SOL 7454 53.350 35.130 34.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23940 ATOM 23936 OW SOL 7455 56.380 20.820 26.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23941 ATOM 23937 HW1 SOL 7455 56.330 20.010 27.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23942 ATOM 23938 HW2 SOL 7455 55.450 21.170 26.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23943 ATOM 23939 OW SOL 7456 38.330 22.370 26.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23944 ATOM 23940 HW1 SOL 7456 37.340 22.340 25.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23945 ATOM 23941 HW2 SOL 7456 38.570 23.260 26.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23946 ATOM 23942 OW SOL 7457 48.690 32.160 16.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23947 ATOM 23943 HW1 SOL 7457 48.670 31.240 16.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23948 ATOM 23944 HW2 SOL 7457 47.910 32.270 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23949 ATOM 23945 OW SOL 7458 45.150 27.060 22.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23950 ATOM 23946 HW1 SOL 7458 45.830 27.000 21.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23951 ATOM 23947 HW2 SOL 7458 45.270 26.300 22.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23952 ATOM 23948 OW SOL 7459 51.020 33.880 16.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23953 ATOM 23949 HW1 SOL 7459 50.200 33.340 16.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23954 ATOM 23950 HW2 SOL 7459 51.710 33.710 16.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23955 ATOM 23951 OW SOL 7460 51.450 31.670 33.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23956 ATOM 23952 HW1 SOL 7460 52.280 31.930 34.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23957 ATOM 23953 HW2 SOL 7460 51.080 32.470 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23958 ATOM 23954 OW SOL 7461 47.040 27.710 25.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23959 ATOM 23955 HW1 SOL 7461 46.190 27.210 25.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23960 ATOM 23956 HW2 SOL 7461 47.770 27.290 26.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23961 ATOM 23957 OW SOL 7462 47.150 18.530 26.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23962 ATOM 23958 HW1 SOL 7462 47.670 18.590 26.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23963 ATOM 23959 HW2 SOL 7462 47.060 17.570 27.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23964 ATOM 23960 OW SOL 7463 54.150 21.340 34.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23965 ATOM 23961 HW1 SOL 7463 53.670 21.630 33.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23966 ATOM 23962 HW2 SOL 7463 54.630 20.470 33.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23967 ATOM 23963 OW SOL 7464 41.020 32.410 21.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23968 ATOM 23964 HW1 SOL 7464 40.940 31.740 21.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23969 ATOM 23965 HW2 SOL 7464 40.310 32.250 22.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23970 ATOM 23966 OW SOL 7465 46.300 22.760 32.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23971 ATOM 23967 HW1 SOL 7465 46.830 23.320 31.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23972 ATOM 23968 HW2 SOL 7465 46.130 21.860 31.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23973 ATOM 23969 OW SOL 7466 37.900 20.020 19.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23974 ATOM 23970 HW1 SOL 7466 37.580 19.130 18.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23975 ATOM 23971 HW2 SOL 7466 37.110 20.590 19.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23976 ATOM 23972 OW SOL 7467 52.060 27.540 32.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23977 ATOM 23973 HW1 SOL 7467 52.040 27.560 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23978 ATOM 23974 HW2 SOL 7467 52.500 28.370 33.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23979 ATOM 23975 OW SOL 7468 36.630 18.780 22.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23980 ATOM 23976 HW1 SOL 7468 35.990 19.090 21.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23981 ATOM 23977 HW2 SOL 7468 37.420 18.350 21.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23982 ATOM 23978 OW SOL 7469 49.020 31.080 20.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23983 ATOM 23979 HW1 SOL 7469 48.190 31.060 20.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23984 ATOM 23980 HW2 SOL 7469 49.820 30.900 20.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23985 ATOM 23981 OW SOL 7470 51.430 36.160 27.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23986 ATOM 23982 HW1 SOL 7470 51.470 37.120 26.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23987 ATOM 23983 HW2 SOL 7470 51.810 36.070 28.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23988 ATOM 23984 OW SOL 7471 56.500 29.290 32.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23989 ATOM 23985 HW1 SOL 7471 56.410 28.640 31.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23990 ATOM 23986 HW2 SOL 7471 56.380 30.220 31.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23991 ATOM 23987 OW SOL 7472 48.080 21.450 25.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23992 ATOM 23988 HW1 SOL 7472 49.050 21.580 25.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23993 ATOM 23989 HW2 SOL 7472 47.710 22.310 25.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23994 ATOM 23990 OW SOL 7473 42.180 22.080 24.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23995 ATOM 23991 HW1 SOL 7473 42.670 22.640 24.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23996 ATOM 23992 HW2 SOL 7473 41.340 21.730 24.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23997 ATOM 23993 OW SOL 7474 53.060 21.120 36.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23998 ATOM 23994 HW1 SOL 7474 53.600 21.100 35.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
23999 ATOM 23995 HW2 SOL 7474 52.400 20.370 36.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24000 ATOM 23996 OW SOL 7475 53.990 29.540 33.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24001 ATOM 23997 HW1 SOL 7475 54.160 30.330 33.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24002 ATOM 23998 HW2 SOL 7475 54.860 29.160 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24003 ATOM 23999 OW SOL 7476 44.730 32.440 20.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24004 ATOM 24000 HW1 SOL 7476 44.010 33.100 20.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24005 ATOM 24001 HW2 SOL 7476 45.520 32.580 20.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24006 ATOM 24002 OW SOL 7477 47.730 27.690 20.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24007 ATOM 24003 HW1 SOL 7477 47.260 28.500 20.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24008 ATOM 24004 HW2 SOL 7477 48.510 27.470 20.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24009 ATOM 24005 OW SOL 7478 57.790 30.570 28.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24010 ATOM 24006 HW1 SOL 7478 57.200 31.360 28.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24011 ATOM 24007 HW2 SOL 7478 57.270 29.820 28.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24012 ATOM 24008 OW SOL 7479 55.100 18.810 33.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24013 ATOM 24009 HW1 SOL 7479 55.500 18.300 34.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24014 ATOM 24010 HW2 SOL 7479 55.420 18.430 32.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24015 ATOM 24011 OW SOL 7480 38.810 20.520 23.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24016 ATOM 24012 HW1 SOL 7480 39.020 20.860 23.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24017 ATOM 24013 HW2 SOL 7480 38.330 21.230 24.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24018 ATOM 24014 OW SOL 7481 52.270 33.480 29.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24019 ATOM 24015 HW1 SOL 7481 51.330 33.440 29.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24020 ATOM 24016 HW2 SOL 7481 52.270 33.330 28.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24021 ATOM 24017 OW SOL 7482 50.270 20.350 30.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24022 ATOM 24018 HW1 SOL 7482 50.410 20.030 31.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24023 ATOM 24019 HW2 SOL 7482 49.740 21.190 30.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24024 ATOM 24020 OW SOL 7483 48.040 18.310 31.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24025 ATOM 24021 HW1 SOL 7483 47.680 17.590 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24026 ATOM 24022 HW2 SOL 7483 48.850 17.980 31.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24027 ATOM 24023 OW SOL 7484 46.900 30.960 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24028 ATOM 24024 HW1 SOL 7484 46.540 30.200 22.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24029 ATOM 24025 HW2 SOL 7484 46.190 31.640 21.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24030 ATOM 24026 OW SOL 7485 50.130 19.280 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24031 ATOM 24027 HW1 SOL 7485 51.040 19.000 21.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24032 ATOM 24028 HW2 SOL 7485 49.600 18.460 21.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24033 ATOM 24029 OW SOL 7486 46.670 23.530 26.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24034 ATOM 24030 HW1 SOL 7486 46.040 24.300 26.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24035 ATOM 24031 HW2 SOL 7486 46.180 22.760 26.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24036 ATOM 24032 OW SOL 7487 53.830 21.490 26.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24037 ATOM 24033 HW1 SOL 7487 53.250 21.260 27.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24038 ATOM 24034 HW2 SOL 7487 53.450 22.280 26.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24039 ATOM 24035 OW SOL 7488 37.260 29.010 21.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24040 ATOM 24036 HW1 SOL 7488 38.000 29.190 20.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24041 ATOM 24037 HW2 SOL 7488 37.240 28.040 21.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24042 ATOM 24038 OW SOL 7489 46.880 33.910 22.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24043 ATOM 24039 HW1 SOL 7489 47.750 33.700 21.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24044 ATOM 24040 HW2 SOL 7489 46.680 34.890 22.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24045 ATOM 24041 OW SOL 7490 57.940 22.440 37.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24046 ATOM 24042 HW1 SOL 7490 57.380 22.300 38.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24047 ATOM 24043 HW2 SOL 7490 58.100 23.410 37.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24048 ATOM 24044 OW SOL 7491 43.920 22.790 56.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24049 ATOM 24045 HW1 SOL 7491 43.320 23.580 57.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24050 ATOM 24046 HW2 SOL 7491 44.410 22.890 56.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24051 ATOM 24047 OW SOL 7492 41.750 29.290 55.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24052 ATOM 24048 HW1 SOL 7492 41.780 29.680 56.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24053 ATOM 24049 HW2 SOL 7492 40.820 29.330 55.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24054 ATOM 24050 OW SOL 7493 51.850 33.330 50.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24055 ATOM 24051 HW1 SOL 7493 51.580 34.280 50.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24056 ATOM 24052 HW2 SOL 7493 52.740 33.280 50.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24057 ATOM 24053 OW SOL 7494 39.380 21.260 52.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24058 ATOM 24054 HW1 SOL 7494 40.120 20.580 52.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24059 ATOM 24055 HW2 SOL 7494 38.500 20.790 52.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24060 ATOM 24056 OW SOL 7495 46.730 28.390 55.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24061 ATOM 24057 HW1 SOL 7495 46.490 27.460 55.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24062 ATOM 24058 HW2 SOL 7495 45.920 28.850 54.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24063 ATOM 24059 OW SOL 7496 43.330 35.110 52.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24064 ATOM 24060 HW1 SOL 7496 42.380 35.300 53.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24065 ATOM 24061 HW2 SOL 7496 43.630 35.730 52.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24066 ATOM 24062 OW SOL 7497 53.210 18.110 52.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24067 ATOM 24063 HW1 SOL 7497 52.960 18.750 52.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24068 ATOM 24064 HW2 SOL 7497 52.560 18.190 53.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24069 ATOM 24065 OW SOL 7498 54.780 33.070 42.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24070 ATOM 24066 HW1 SOL 7498 54.480 32.130 41.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24071 ATOM 24067 HW2 SOL 7498 55.690 33.210 41.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24072 ATOM 24068 OW SOL 7499 54.600 28.020 43.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24073 ATOM 24069 HW1 SOL 7499 54.170 27.430 42.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24074 ATOM 24070 HW2 SOL 7499 55.480 27.620 43.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24075 ATOM 24071 OW SOL 7500 40.490 25.090 53.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24076 ATOM 24072 HW1 SOL 7500 41.280 25.000 53.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24077 ATOM 24073 HW2 SOL 7500 40.260 26.050 52.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24078 ATOM 24074 OW SOL 7501 50.930 29.260 47.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24079 ATOM 24075 HW1 SOL 7501 51.680 29.820 47.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24080 ATOM 24076 HW2 SOL 7501 50.240 29.860 48.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24081 ATOM 24077 OW SOL 7502 48.350 36.230 54.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24082 ATOM 24078 HW1 SOL 7502 48.620 36.910 53.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24083 ATOM 24079 HW2 SOL 7502 49.010 36.230 54.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24084 ATOM 24080 OW SOL 7503 39.100 20.500 56.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24085 ATOM 24081 HW1 SOL 7503 39.620 21.310 57.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24086 ATOM 24082 HW2 SOL 7503 38.470 20.760 56.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24087 ATOM 24083 OW SOL 7504 49.410 33.030 47.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24088 ATOM 24084 HW1 SOL 7504 49.820 32.410 48.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24089 ATOM 24085 HW2 SOL 7504 48.600 32.600 46.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24090 ATOM 24086 OW SOL 7505 48.800 19.890 45.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24091 ATOM 24087 HW1 SOL 7505 48.950 20.880 45.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24092 ATOM 24088 HW2 SOL 7505 48.640 19.490 46.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24093 ATOM 24089 OW SOL 7506 42.690 21.690 51.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24094 ATOM 24090 HW1 SOL 7506 43.390 22.140 50.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24095 ATOM 24091 HW2 SOL 7506 41.800 22.110 51.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24096 ATOM 24092 OW SOL 7507 49.940 23.290 54.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24097 ATOM 24093 HW1 SOL 7507 49.900 23.650 55.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24098 ATOM 24094 HW2 SOL 7507 50.790 22.780 54.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24099 ATOM 24095 OW SOL 7508 45.240 23.720 54.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24100 ATOM 24096 HW1 SOL 7508 45.260 23.510 53.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24101 ATOM 24097 HW2 SOL 7508 45.860 24.480 54.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24102 ATOM 24098 OW SOL 7509 49.090 22.260 47.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24103 ATOM 24099 HW1 SOL 7509 48.840 22.300 48.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24104 ATOM 24100 HW2 SOL 7509 50.070 22.450 46.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24105 ATOM 24101 OW SOL 7510 54.420 22.790 54.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24106 ATOM 24102 HW1 SOL 7510 54.410 23.680 53.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24107 ATOM 24103 HW2 SOL 7510 53.510 22.390 54.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24108 ATOM 24104 OW SOL 7511 56.040 28.840 46.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24109 ATOM 24105 HW1 SOL 7511 56.120 29.440 45.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24110 ATOM 24106 HW2 SOL 7511 55.090 28.530 46.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24111 ATOM 24107 OW SOL 7512 49.620 31.660 52.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24112 ATOM 24108 HW1 SOL 7512 49.090 32.280 52.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24113 ATOM 24109 HW2 SOL 7512 49.050 31.350 51.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24114 ATOM 24110 OW SOL 7513 52.670 27.000 45.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24115 ATOM 24111 HW1 SOL 7513 52.120 26.270 44.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24116 ATOM 24112 HW2 SOL 7513 53.190 27.460 44.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24117 ATOM 24113 OW SOL 7514 37.070 20.650 54.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24118 ATOM 24114 HW1 SOL 7514 36.950 20.850 54.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24119 ATOM 24115 HW2 SOL 7514 36.420 19.950 55.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24120 ATOM 24116 OW SOL 7515 51.140 18.720 54.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24121 ATOM 24117 HW1 SOL 7515 50.850 18.780 55.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24122 ATOM 24118 HW2 SOL 7515 50.340 18.740 53.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24123 ATOM 24119 OW SOL 7516 43.180 19.320 54.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24124 ATOM 24120 HW1 SOL 7516 43.710 18.570 55.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24125 ATOM 24121 HW2 SOL 7516 42.420 19.540 55.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24126 ATOM 24122 OW SOL 7517 46.440 33.170 49.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24127 ATOM 24123 HW1 SOL 7517 45.620 32.600 49.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24128 ATOM 24124 HW2 SOL 7517 47.240 32.620 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24129 ATOM 24125 OW SOL 7518 48.900 23.580 51.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24130 ATOM 24126 HW1 SOL 7518 49.090 23.690 52.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24131 ATOM 24127 HW2 SOL 7518 49.480 24.200 51.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24132 ATOM 24128 OW SOL 7519 46.930 23.630 46.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24133 ATOM 24129 HW1 SOL 7519 46.220 22.930 46.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24134 ATOM 24130 HW2 SOL 7519 47.820 23.210 46.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24135 ATOM 24131 OW SOL 7520 46.340 22.870 52.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24136 ATOM 24132 HW1 SOL 7520 46.180 21.970 52.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24137 ATOM 24133 HW2 SOL 7520 47.270 22.910 51.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24138 ATOM 24134 OW SOL 7521 51.830 33.430 46.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24139 ATOM 24135 HW1 SOL 7521 51.790 33.990 45.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24140 ATOM 24136 HW2 SOL 7521 50.980 33.530 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24141 ATOM 24137 OW SOL 7522 33.050 24.320 51.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24142 ATOM 24138 HW1 SOL 7522 33.280 25.250 51.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24143 ATOM 24139 HW2 SOL 7522 32.070 24.170 51.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24144 ATOM 24140 OW SOL 7523 43.030 17.500 48.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24145 ATOM 24141 HW1 SOL 7523 43.840 18.100 48.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24146 ATOM 24142 HW2 SOL 7523 42.210 18.050 47.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24147 ATOM 24143 OW SOL 7524 53.620 30.960 44.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24148 ATOM 24144 HW1 SOL 7524 54.220 31.420 44.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24149 ATOM 24145 HW2 SOL 7524 52.780 30.670 44.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24150 ATOM 24146 OW SOL 7525 51.750 23.010 46.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24151 ATOM 24147 HW1 SOL 7525 51.870 22.890 45.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24152 ATOM 24148 HW2 SOL 7525 52.620 23.280 47.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24153 ATOM 24149 OW SOL 7526 54.760 25.370 41.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24154 ATOM 24150 HW1 SOL 7526 55.650 25.070 42.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24155 ATOM 24151 HW2 SOL 7526 54.890 25.820 40.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24156 ATOM 24152 OW SOL 7527 54.130 30.430 41.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24157 ATOM 24153 HW1 SOL 7527 54.850 29.880 40.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24158 ATOM 24154 HW2 SOL 7527 53.940 30.090 42.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24159 ATOM 24155 OW SOL 7528 51.570 23.130 37.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24160 ATOM 24156 HW1 SOL 7528 50.880 22.630 38.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24161 ATOM 24157 HW2 SOL 7528 52.380 22.550 37.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24162 ATOM 24158 OW SOL 7529 53.490 29.940 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24163 ATOM 24159 HW1 SOL 7529 53.620 28.950 52.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24164 ATOM 24160 HW2 SOL 7529 53.720 30.290 53.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24165 ATOM 24161 OW SOL 7530 48.760 29.510 50.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24166 ATOM 24162 HW1 SOL 7530 47.850 29.250 50.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24167 ATOM 24163 HW2 SOL 7530 48.930 29.070 51.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24168 ATOM 24164 OW SOL 7531 51.960 32.600 53.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24169 ATOM 24165 HW1 SOL 7531 51.170 32.220 53.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24170 ATOM 24166 HW2 SOL 7531 52.560 33.040 52.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24171 ATOM 24167 OW SOL 7532 46.390 29.280 49.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24172 ATOM 24168 HW1 SOL 7532 45.850 29.590 50.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24173 ATOM 24169 HW2 SOL 7532 45.780 28.850 48.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24174 ATOM 24170 OW SOL 7533 53.580 27.650 47.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24175 ATOM 24171 HW1 SOL 7533 52.910 28.310 47.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24176 ATOM 24172 HW2 SOL 7533 53.260 27.310 46.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24177 ATOM 24173 OW SOL 7534 44.050 20.140 49.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24178 ATOM 24174 HW1 SOL 7534 44.930 19.930 49.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24179 ATOM 24175 HW2 SOL 7534 43.420 20.480 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24180 ATOM 24176 OW SOL 7535 44.180 28.680 53.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24181 ATOM 24177 HW1 SOL 7535 43.350 28.920 54.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24182 ATOM 24178 HW2 SOL 7535 43.940 28.120 53.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24183 ATOM 24179 OW SOL 7536 37.300 23.210 50.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24184 ATOM 24180 HW1 SOL 7536 36.950 23.290 51.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24185 ATOM 24181 HW2 SOL 7536 37.560 22.260 50.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24186 ATOM 24182 OW SOL 7537 48.050 22.410 49.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24187 ATOM 24183 HW1 SOL 7537 48.470 22.960 50.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24188 ATOM 24184 HW2 SOL 7537 47.060 22.500 49.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24189 ATOM 24185 OW SOL 7538 50.130 31.440 49.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24190 ATOM 24186 HW1 SOL 7538 50.750 32.010 49.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24191 ATOM 24187 HW2 SOL 7538 49.740 30.730 49.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24192 ATOM 24188 OW SOL 7539 42.920 25.270 54.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24193 ATOM 24189 HW1 SOL 7539 43.140 25.880 55.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24194 ATOM 24190 HW2 SOL 7539 43.670 24.630 54.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24195 ATOM 24191 OW SOL 7540 53.530 25.320 53.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24196 ATOM 24192 HW1 SOL 7540 52.700 25.650 53.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24197 ATOM 24193 HW2 SOL 7540 53.790 25.970 52.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24198 ATOM 24194 OW SOL 7541 47.510 18.190 55.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24199 ATOM 24195 HW1 SOL 7541 48.280 18.770 55.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24200 ATOM 24196 HW2 SOL 7541 47.790 17.570 56.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24201 ATOM 24197 OW SOL 7542 39.990 18.650 54.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24202 ATOM 24198 HW1 SOL 7542 39.300 17.930 54.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24203 ATOM 24199 HW2 SOL 7542 39.630 19.370 55.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24204 ATOM 24200 OW SOL 7543 50.280 25.150 46.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24205 ATOM 24201 HW1 SOL 7543 50.750 25.170 45.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24206 ATOM 24202 HW2 SOL 7543 50.670 24.430 47.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24207 ATOM 24203 OW SOL 7544 41.850 27.350 49.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24208 ATOM 24204 HW1 SOL 7544 41.340 26.520 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24209 ATOM 24205 HW2 SOL 7544 42.210 27.770 49.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24210 ATOM 24206 OW SOL 7545 54.190 27.960 54.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24211 ATOM 24207 HW1 SOL 7545 54.210 26.970 54.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24212 ATOM 24208 HW2 SOL 7545 53.660 28.150 55.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24213 ATOM 24209 OW SOL 7546 54.390 23.100 43.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24214 ATOM 24210 HW1 SOL 7546 54.640 23.680 43.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24215 ATOM 24211 HW2 SOL 7546 53.420 23.210 44.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24216 ATOM 24212 OW SOL 7547 43.700 32.550 56.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24217 ATOM 24213 HW1 SOL 7547 44.100 32.500 55.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24218 ATOM 24214 HW2 SOL 7547 44.120 31.850 56.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24219 ATOM 24215 OW SOL 7548 53.970 33.200 51.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24220 ATOM 24216 HW1 SOL 7548 54.360 33.890 51.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24221 ATOM 24217 HW2 SOL 7548 54.690 32.840 52.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24222 ATOM 24218 OW SOL 7549 39.330 26.730 56.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24223 ATOM 24219 HW1 SOL 7549 40.250 26.600 56.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24224 ATOM 24220 HW2 SOL 7549 38.900 25.840 56.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24225 ATOM 24221 OW SOL 7550 48.650 20.710 54.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24226 ATOM 24222 HW1 SOL 7550 47.890 20.770 54.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24227 ATOM 24223 HW2 SOL 7550 49.170 21.570 54.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24228 ATOM 24224 OW SOL 7551 49.170 19.980 51.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24229 ATOM 24225 HW1 SOL 7551 49.220 20.290 52.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24230 ATOM 24226 HW2 SOL 7551 49.920 20.390 50.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24231 ATOM 24227 OW SOL 7552 44.750 22.980 50.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24232 ATOM 24228 HW1 SOL 7552 44.670 23.930 49.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24233 ATOM 24229 HW2 SOL 7552 45.330 22.950 50.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24234 ATOM 24230 OW SOL 7553 36.310 24.050 48.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24235 ATOM 24231 HW1 SOL 7553 35.580 23.390 48.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24236 ATOM 24232 HW2 SOL 7553 36.750 23.800 49.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24237 ATOM 24233 OW SOL 7554 38.150 23.650 53.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24238 ATOM 24234 HW1 SOL 7554 38.570 22.830 53.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24239 ATOM 24235 HW2 SOL 7554 38.710 24.450 53.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24240 ATOM 24236 OW SOL 7555 50.920 26.630 53.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24241 ATOM 24237 HW1 SOL 7555 50.520 27.510 53.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24242 ATOM 24238 HW2 SOL 7555 50.720 25.950 52.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24243 ATOM 24239 OW SOL 7556 54.190 23.420 48.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24244 ATOM 24240 HW1 SOL 7556 54.520 22.770 48.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24245 ATOM 24241 HW2 SOL 7556 54.800 23.380 47.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24246 ATOM 24242 OW SOL 7557 39.520 33.550 55.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24247 ATOM 24243 HW1 SOL 7557 38.760 33.790 55.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24248 ATOM 24244 HW2 SOL 7557 39.460 32.590 54.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24249 ATOM 24245 OW SOL 7558 41.250 24.810 48.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24250 ATOM 24246 HW1 SOL 7558 42.190 25.130 48.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24251 ATOM 24247 HW2 SOL 7558 41.150 24.140 49.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24252 ATOM 24248 OW SOL 7559 47.700 33.410 53.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24253 ATOM 24249 HW1 SOL 7559 47.900 33.170 54.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24254 ATOM 24250 HW2 SOL 7559 47.980 34.350 53.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24255 ATOM 24251 OW SOL 7560 39.940 27.620 53.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24256 ATOM 24252 HW1 SOL 7560 39.060 27.860 53.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24257 ATOM 24253 HW2 SOL 7560 40.450 28.450 52.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24258 ATOM 24254 OW SOL 7561 49.270 26.910 48.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24259 ATOM 24255 HW1 SOL 7561 49.580 26.300 47.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24260 ATOM 24256 HW2 SOL 7561 49.730 27.800 48.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24261 ATOM 24257 OW SOL 7562 53.530 35.140 47.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24262 ATOM 24258 HW1 SOL 7562 53.810 35.700 46.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24263 ATOM 24259 HW2 SOL 7562 53.190 34.260 47.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24264 ATOM 24260 OW SOL 7563 46.680 35.760 50.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24265 ATOM 24261 HW1 SOL 7563 47.640 35.860 49.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24266 ATOM 24262 HW2 SOL 7563 46.410 34.800 49.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24267 ATOM 24263 OW SOL 7564 41.890 34.310 56.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24268 ATOM 24264 HW1 SOL 7564 41.040 33.980 56.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24269 ATOM 24265 HW2 SOL 7564 42.600 33.620 56.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24270 ATOM 24266 OW SOL 7565 40.000 34.170 58.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24271 ATOM 24267 HW1 SOL 7565 39.120 34.080 58.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24272 ATOM 24268 HW2 SOL 7565 40.740 34.030 57.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24273 ATOM 24269 OW SOL 7566 51.800 36.050 49.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24274 ATOM 24270 HW1 SOL 7566 52.270 35.570 48.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24275 ATOM 24271 HW2 SOL 7566 52.470 36.360 50.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24276 ATOM 24272 OW SOL 7567 52.820 18.640 46.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24277 ATOM 24273 HW1 SOL 7567 53.110 18.010 45.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24278 ATOM 24274 HW2 SOL 7567 52.430 19.460 45.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24279 ATOM 24275 OW SOL 7568 50.270 34.240 36.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24280 ATOM 24276 HW1 SOL 7568 49.580 34.600 37.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24281 ATOM 24277 HW2 SOL 7568 50.950 34.950 36.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24282 ATOM 24278 OW SOL 7569 44.330 25.740 49.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24283 ATOM 24279 HW1 SOL 7569 44.390 26.550 48.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24284 ATOM 24280 HW2 SOL 7569 44.230 26.010 50.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24285 ATOM 24281 OW SOL 7570 53.400 30.720 47.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24286 ATOM 24282 HW1 SOL 7570 53.910 30.400 48.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24287 ATOM 24283 HW2 SOL 7570 53.140 31.680 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24288 ATOM 24284 OW SOL 7571 52.460 21.650 51.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24289 ATOM 24285 HW1 SOL 7571 53.240 22.250 50.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24290 ATOM 24286 HW2 SOL 7571 52.620 20.750 50.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24291 ATOM 24287 OW SOL 7572 37.750 28.410 55.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24292 ATOM 24288 HW1 SOL 7572 36.900 28.510 55.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24293 ATOM 24289 HW2 SOL 7572 38.350 27.770 55.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24294 ATOM 24290 OW SOL 7573 41.630 19.570 52.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24295 ATOM 24291 HW1 SOL 7573 42.100 20.280 52.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24296 ATOM 24292 HW2 SOL 7573 42.200 19.290 53.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24297 ATOM 24293 OW SOL 7574 50.670 25.560 50.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24298 ATOM 24294 HW1 SOL 7574 50.190 26.240 49.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24299 ATOM 24295 HW2 SOL 7574 51.520 25.310 50.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24300 ATOM 24296 OW SOL 7575 43.520 26.460 52.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24301 ATOM 24297 HW1 SOL 7575 43.240 26.260 53.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24302 ATOM 24298 HW2 SOL 7575 42.790 26.940 51.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24303 ATOM 24299 OW SOL 7576 49.070 35.670 48.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24304 ATOM 24300 HW1 SOL 7576 49.060 34.700 48.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24305 ATOM 24301 HW2 SOL 7576 49.970 35.910 49.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24306 ATOM 24302 OW SOL 7577 45.570 20.620 53.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24307 ATOM 24303 HW1 SOL 7577 45.850 20.650 54.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24308 ATOM 24304 HW2 SOL 7577 44.600 20.370 53.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24309 ATOM 24305 OW SOL 7578 49.660 29.040 53.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24310 ATOM 24306 HW1 SOL 7578 49.960 29.970 52.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24311 ATOM 24307 HW2 SOL 7578 49.690 28.920 54.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24312 ATOM 24308 OW SOL 7579 40.510 35.340 53.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24313 ATOM 24309 HW1 SOL 7579 40.330 34.880 53.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24314 ATOM 24310 HW2 SOL 7579 40.660 34.660 52.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24315 ATOM 24311 OW SOL 7580 52.980 25.670 49.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24316 ATOM 24312 HW1 SOL 7580 53.240 24.790 48.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24317 ATOM 24313 HW2 SOL 7580 53.160 26.400 48.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24318 ATOM 24314 OW SOL 7581 51.830 21.370 53.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24319 ATOM 24315 HW1 SOL 7581 52.210 21.460 52.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24320 ATOM 24316 HW2 SOL 7581 51.650 20.400 54.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24321 ATOM 24317 OW SOL 7582 54.330 26.910 51.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24322 ATOM 24318 HW1 SOL 7582 55.040 27.530 51.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24323 ATOM 24319 HW2 SOL 7582 53.810 26.560 50.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24324 ATOM 24320 OW SOL 7583 54.200 34.160 44.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24325 ATOM 24321 HW1 SOL 7583 54.350 33.980 43.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24326 ATOM 24322 HW2 SOL 7583 54.730 33.510 45.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24327 ATOM 24323 OW SOL 7584 39.220 30.800 55.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24328 ATOM 24324 HW1 SOL 7584 38.500 30.200 55.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24329 ATOM 24325 HW2 SOL 7584 39.190 30.820 56.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24330 ATOM 24326 OW SOL 7585 52.730 19.210 50.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24331 ATOM 24327 HW1 SOL 7585 53.610 19.060 49.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24332 ATOM 24328 HW2 SOL 7585 52.000 18.880 49.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24333 ATOM 24329 OW SOL 7586 55.060 32.310 46.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24334 ATOM 24330 HW1 SOL 7586 54.580 31.690 46.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24335 ATOM 24331 HW2 SOL 7586 56.010 32.410 46.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24336 ATOM 24332 OW SOL 7587 40.510 23.300 50.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24337 ATOM 24333 HW1 SOL 7587 40.430 24.020 51.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24338 ATOM 24334 HW2 SOL 7587 40.000 22.490 51.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24339 ATOM 24335 OW SOL 7588 47.520 19.470 48.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24340 ATOM 24336 HW1 SOL 7588 47.340 18.980 48.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24341 ATOM 24337 HW2 SOL 7588 47.440 20.450 48.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24342 ATOM 24338 OW SOL 7589 46.500 19.510 51.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24343 ATOM 24339 HW1 SOL 7589 47.470 19.750 51.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24344 ATOM 24340 HW2 SOL 7589 46.040 19.820 52.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24345 ATOM 24341 OW SOL 7590 44.660 32.930 53.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24346 ATOM 24342 HW1 SOL 7590 44.150 33.760 53.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24347 ATOM 24343 HW2 SOL 7590 45.630 33.060 53.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24348 ATOM 24344 OW SOL 7591 51.350 20.360 44.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24349 ATOM 24345 HW1 SOL 7591 50.480 19.910 44.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24350 ATOM 24346 HW2 SOL 7591 51.190 21.350 44.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24351 ATOM 24347 OW SOL 7592 38.300 24.250 56.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24352 ATOM 24348 HW1 SOL 7592 37.420 24.200 56.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24353 ATOM 24349 HW2 SOL 7592 38.240 23.720 55.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24354 ATOM 24350 OW SOL 7593 39.050 21.130 64.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24355 ATOM 24351 HW1 SOL 7593 39.450 20.730 65.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24356 ATOM 24352 HW2 SOL 7593 38.380 21.830 64.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24357 ATOM 24353 OW SOL 7594 37.310 22.620 61.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24358 ATOM 24354 HW1 SOL 7594 36.540 22.780 61.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24359 ATOM 24355 HW2 SOL 7594 37.190 21.730 60.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24360 ATOM 24356 OW SOL 7595 43.660 31.430 67.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24361 ATOM 24357 HW1 SOL 7595 43.610 32.420 67.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24362 ATOM 24358 HW2 SOL 7595 42.990 31.020 66.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24363 ATOM 24359 OW SOL 7596 51.890 31.270 61.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24364 ATOM 24360 HW1 SOL 7596 52.010 30.900 62.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24365 ATOM 24361 HW2 SOL 7596 51.530 32.200 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24366 ATOM 24362 OW SOL 7597 46.800 27.010 60.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24367 ATOM 24363 HW1 SOL 7597 47.670 27.070 61.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24368 ATOM 24364 HW2 SOL 7597 46.060 26.810 61.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24369 ATOM 24365 OW SOL 7598 55.800 23.140 56.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24370 ATOM 24366 HW1 SOL 7598 55.160 22.970 55.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24371 ATOM 24367 HW2 SOL 7598 56.210 22.270 57.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24372 ATOM 24368 OW SOL 7599 44.170 28.330 66.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24373 ATOM 24369 HW1 SOL 7599 43.360 28.840 66.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24374 ATOM 24370 HW2 SOL 7599 44.600 28.820 67.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24375 ATOM 24371 OW SOL 7600 45.890 24.610 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24376 ATOM 24372 HW1 SOL 7600 45.460 25.020 2.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24377 ATOM 24373 HW2 SOL 7600 45.860 25.260 0.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24378 ATOM 24374 OW SOL 7601 44.920 26.820 62.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24379 ATOM 24375 HW1 SOL 7601 45.640 27.250 63.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24380 ATOM 24376 HW2 SOL 7601 44.070 27.330 62.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24381 ATOM 24377 OW SOL 7602 40.510 32.900 66.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24382 ATOM 24378 HW1 SOL 7602 41.170 32.640 65.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24383 ATOM 24379 HW2 SOL 7602 39.710 32.300 66.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24384 ATOM 24380 OW SOL 7603 49.280 34.190 70.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24385 ATOM 24381 HW1 SOL 7603 50.080 34.560 71.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24386 ATOM 24382 HW2 SOL 7603 49.510 34.030 69.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24387 ATOM 24383 OW SOL 7604 41.490 21.720 70.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24388 ATOM 24384 HW1 SOL 7604 41.940 20.860 70.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24389 ATOM 24385 HW2 SOL 7604 42.190 22.410 70.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24390 ATOM 24386 OW SOL 7605 52.080 23.400 61.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24391 ATOM 24387 HW1 SOL 7605 52.340 23.820 60.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24392 ATOM 24388 HW2 SOL 7605 51.200 23.760 61.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24393 ATOM 24389 OW SOL 7606 37.190 35.540 60.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24394 ATOM 24390 HW1 SOL 7606 36.510 35.710 61.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24395 ATOM 24391 HW2 SOL 7606 38.080 35.900 60.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24396 ATOM 24392 OW SOL 7607 35.660 33.320 59.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24397 ATOM 24393 HW1 SOL 7607 36.010 34.250 59.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24398 ATOM 24394 HW2 SOL 7607 34.700 33.350 60.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24399 ATOM 24395 OW SOL 7608 41.650 29.630 65.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24400 ATOM 24396 HW1 SOL 7608 41.200 28.920 66.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24401 ATOM 24397 HW2 SOL 7608 40.960 30.280 65.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24402 ATOM 24398 OW SOL 7609 43.250 34.760 71.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24403 ATOM 24399 HW1 SOL 7609 42.260 34.650 71.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24404 ATOM 24400 HW2 SOL 7609 43.580 35.400 71.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24405 ATOM 24401 OW SOL 7610 42.700 27.070 56.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24406 ATOM 24402 HW1 SOL 7610 42.250 27.880 56.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24407 ATOM 24403 HW2 SOL 7610 42.920 27.210 57.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24408 ATOM 24404 OW SOL 7611 52.810 21.070 70.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24409 ATOM 24405 HW1 SOL 7611 52.940 22.050 70.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24410 ATOM 24406 HW2 SOL 7611 53.290 20.580 71.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24411 ATOM 24407 OW SOL 7612 40.700 24.990 62.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24412 ATOM 24408 HW1 SOL 7612 41.310 24.240 61.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24413 ATOM 24409 HW2 SOL 7612 40.970 25.360 63.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24414 ATOM 24410 OW SOL 7613 54.380 35.740 59.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24415 ATOM 24411 HW1 SOL 7613 55.250 35.260 59.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24416 ATOM 24412 HW2 SOL 7613 54.530 36.570 58.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24417 ATOM 24413 OW SOL 7614 37.760 34.180 57.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24418 ATOM 24414 HW1 SOL 7614 37.170 33.370 57.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24419 ATOM 24415 HW2 SOL 7614 37.260 34.990 57.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24420 ATOM 24416 OW SOL 7615 55.540 27.200 63.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24421 ATOM 24417 HW1 SOL 7615 55.590 26.290 63.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24422 ATOM 24418 HW2 SOL 7615 56.300 27.330 62.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24423 ATOM 24419 OW SOL 7616 55.760 28.600 60.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24424 ATOM 24420 HW1 SOL 7616 55.790 27.970 59.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24425 ATOM 24421 HW2 SOL 7616 55.230 29.410 60.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24426 ATOM 24422 OW SOL 7617 38.270 25.010 71.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24427 ATOM 24423 HW1 SOL 7617 39.130 25.030 72.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24428 ATOM 24424 HW2 SOL 7617 37.820 25.900 72.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24429 ATOM 24425 OW SOL 7618 43.720 31.090 62.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24430 ATOM 24426 HW1 SOL 7618 43.900 30.590 61.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24431 ATOM 24427 HW2 SOL 7618 42.820 31.540 62.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24432 ATOM 24428 OW SOL 7619 47.920 29.610 70.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24433 ATOM 24429 HW1 SOL 7619 48.740 30.180 70.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24434 ATOM 24430 HW2 SOL 7619 47.310 29.930 70.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24435 ATOM 24431 OW SOL 7620 45.410 17.340 61.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24436 ATOM 24432 HW1 SOL 7620 45.820 18.190 60.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24437 ATOM 24433 HW2 SOL 7620 44.600 17.550 61.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24438 ATOM 24434 OW SOL 7621 40.130 27.630 67.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24439 ATOM 24435 HW1 SOL 7621 40.140 27.630 68.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24440 ATOM 24436 HW2 SOL 7621 40.560 26.800 67.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24441 ATOM 24437 OW SOL 7622 53.880 27.470 57.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24442 ATOM 24438 HW1 SOL 7622 53.450 27.500 58.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24443 ATOM 24439 HW2 SOL 7622 54.640 26.830 58.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24444 ATOM 24440 OW SOL 7623 51.250 36.000 0.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24445 ATOM 24441 HW1 SOL 7623 51.700 36.460 -0.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24446 ATOM 24442 HW2 SOL 7623 50.280 36.230 0.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24447 ATOM 24443 OW SOL 7624 40.650 20.720 0.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24448 ATOM 24444 HW1 SOL 7624 40.320 21.410 0.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24449 ATOM 24445 HW2 SOL 7624 40.930 21.150 -0.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24450 ATOM 24446 OW SOL 7625 51.430 31.820 64.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24451 ATOM 24447 HW1 SOL 7625 51.310 31.380 65.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24452 ATOM 24448 HW2 SOL 7625 51.590 31.120 64.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24453 ATOM 24449 OW SOL 7626 52.990 38.160 60.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24454 ATOM 24450 HW1 SOL 7626 53.380 37.280 61.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24455 ATOM 24451 HW2 SOL 7626 52.460 38.530 61.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24456 ATOM 24452 OW SOL 7627 42.280 24.790 57.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24457 ATOM 24453 HW1 SOL 7627 42.380 25.330 57.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24458 ATOM 24454 HW2 SOL 7627 41.710 25.280 58.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24459 ATOM 24455 OW SOL 7628 50.520 23.390 65.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24460 ATOM 24456 HW1 SOL 7628 49.550 23.160 65.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24461 ATOM 24457 HW2 SOL 7628 50.890 22.960 66.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24462 ATOM 24458 OW SOL 7629 51.860 34.720 58.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24463 ATOM 24459 HW1 SOL 7629 52.840 34.920 58.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24464 ATOM 24460 HW2 SOL 7629 51.700 34.390 57.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24465 ATOM 24461 OW SOL 7630 43.740 23.240 70.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24466 ATOM 24462 HW1 SOL 7630 44.310 22.520 70.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24467 ATOM 24463 HW2 SOL 7630 43.740 23.150 69.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24468 ATOM 24464 OW SOL 7631 46.650 26.640 72.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24469 ATOM 24465 HW1 SOL 7631 46.960 25.760 72.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24470 ATOM 24466 HW2 SOL 7631 45.970 27.030 71.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24471 ATOM 24467 OW SOL 7632 47.080 22.370 68.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24472 ATOM 24468 HW1 SOL 7632 46.620 21.680 67.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24473 ATOM 24469 HW2 SOL 7632 47.570 21.910 69.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24474 ATOM 24470 OW SOL 7633 45.790 25.450 58.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24475 ATOM 24471 HW1 SOL 7633 46.360 25.730 59.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24476 ATOM 24472 HW2 SOL 7633 45.700 24.450 58.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24477 ATOM 24473 OW SOL 7634 41.190 26.490 64.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24478 ATOM 24474 HW1 SOL 7634 41.520 26.230 65.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24479 ATOM 24475 HW2 SOL 7634 41.760 27.230 64.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24480 ATOM 24476 OW SOL 7635 36.100 37.820 71.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24481 ATOM 24477 HW1 SOL 7635 35.970 37.380 72.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24482 ATOM 24478 HW2 SOL 7635 35.540 38.650 71.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24483 ATOM 24479 OW SOL 7636 45.380 19.970 57.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24484 ATOM 24480 HW1 SOL 7636 45.780 20.560 56.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24485 ATOM 24481 HW2 SOL 7636 45.080 19.110 57.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24486 ATOM 24482 OW SOL 7637 49.490 29.190 59.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24487 ATOM 24483 HW1 SOL 7637 49.550 30.170 59.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24488 ATOM 24484 HW2 SOL 7637 48.700 28.810 59.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24489 ATOM 24485 OW SOL 7638 43.650 19.070 64.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24490 ATOM 24486 HW1 SOL 7638 43.020 19.220 65.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24491 ATOM 24487 HW2 SOL 7638 43.880 19.940 64.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24492 ATOM 24488 OW SOL 7639 46.800 33.460 59.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24493 ATOM 24489 HW1 SOL 7639 46.260 33.690 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24494 ATOM 24490 HW2 SOL 7639 46.290 33.730 60.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24495 ATOM 24491 OW SOL 7640 39.770 35.330 64.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24496 ATOM 24492 HW1 SOL 7640 40.110 34.580 65.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24497 ATOM 24493 HW2 SOL 7640 40.300 36.150 65.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24498 ATOM 24494 OW SOL 7641 54.550 29.450 64.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24499 ATOM 24495 HW1 SOL 7641 55.170 28.660 64.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24500 ATOM 24496 HW2 SOL 7641 53.750 29.240 65.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24501 ATOM 24497 OW SOL 7642 46.930 35.510 71.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24502 ATOM 24498 HW1 SOL 7642 46.550 35.030 72.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24503 ATOM 24499 HW2 SOL 7642 47.820 35.120 71.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24504 ATOM 24500 OW SOL 7643 40.580 26.240 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24505 ATOM 24501 HW1 SOL 7643 39.700 25.990 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24506 ATOM 24502 HW2 SOL 7643 40.690 25.770 60.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24507 ATOM 24503 OW SOL 7644 52.870 27.090 62.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24508 ATOM 24504 HW1 SOL 7644 52.570 26.390 63.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24509 ATOM 24505 HW2 SOL 7644 53.860 27.170 62.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24510 ATOM 24506 OW SOL 7645 41.700 29.180 1.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24511 ATOM 24507 HW1 SOL 7645 41.520 29.750 0.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24512 ATOM 24508 HW2 SOL 7645 42.610 28.760 0.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24513 ATOM 24509 OW SOL 7646 48.080 35.970 58.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24514 ATOM 24510 HW1 SOL 7646 47.220 35.460 58.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24515 ATOM 24511 HW2 SOL 7646 48.330 36.060 59.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24516 ATOM 24512 OW SOL 7647 39.090 20.690 69.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24517 ATOM 24513 HW1 SOL 7647 39.840 21.020 69.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24518 ATOM 24514 HW2 SOL 7647 38.420 21.420 69.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24519 ATOM 24515 OW SOL 7648 54.060 31.340 54.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24520 ATOM 24516 HW1 SOL 7648 53.250 31.810 54.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24521 ATOM 24517 HW2 SOL 7648 53.790 30.760 55.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24522 ATOM 24518 OW SOL 7649 39.860 35.050 61.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24523 ATOM 24519 HW1 SOL 7649 40.210 35.990 61.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24524 ATOM 24520 HW2 SOL 7649 39.840 34.710 60.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24525 ATOM 24521 OW SOL 7650 51.150 18.920 60.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24526 ATOM 24522 HW1 SOL 7650 51.070 18.210 60.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24527 ATOM 24523 HW2 SOL 7650 52.090 19.260 60.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24528 ATOM 24524 OW SOL 7651 38.360 35.730 67.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24529 ATOM 24525 HW1 SOL 7651 39.300 35.380 67.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24530 ATOM 24526 HW2 SOL 7651 37.960 35.700 67.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24531 ATOM 24527 OW SOL 7652 47.260 34.210 65.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24532 ATOM 24528 HW1 SOL 7652 47.970 34.010 64.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24533 ATOM 24529 HW2 SOL 7652 46.750 33.370 65.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24534 ATOM 24530 OW SOL 7653 43.010 23.370 60.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24535 ATOM 24531 HW1 SOL 7653 42.560 22.490 60.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24536 ATOM 24532 HW2 SOL 7653 42.770 23.730 59.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24537 ATOM 24533 OW SOL 7654 44.860 17.770 56.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24538 ATOM 24534 HW1 SOL 7654 45.770 17.850 55.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24539 ATOM 24535 HW2 SOL 7654 44.480 16.870 55.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24540 ATOM 24536 OW SOL 7655 43.660 20.670 1.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24541 ATOM 24537 HW1 SOL 7655 44.560 20.230 1.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24542 ATOM 24538 HW2 SOL 7655 42.990 20.000 0.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24543 ATOM 24539 OW SOL 7656 47.190 31.340 66.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24544 ATOM 24540 HW1 SOL 7656 46.810 31.450 65.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24545 ATOM 24541 HW2 SOL 7656 46.560 30.790 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24546 ATOM 24542 OW SOL 7657 49.370 22.860 70.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24547 ATOM 24543 HW1 SOL 7657 49.620 21.920 70.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24548 ATOM 24544 HW2 SOL 7657 50.140 23.470 70.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24549 ATOM 24545 OW SOL 7658 45.860 31.580 63.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24550 ATOM 24546 HW1 SOL 7658 46.670 31.370 63.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24551 ATOM 24547 HW2 SOL 7658 45.050 31.210 63.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24552 ATOM 24548 OW SOL 7659 47.570 23.260 65.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24553 ATOM 24549 HW1 SOL 7659 47.490 23.090 64.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24554 ATOM 24550 HW2 SOL 7659 47.300 22.450 65.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24555 ATOM 24551 OW SOL 7660 42.760 18.160 61.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24556 ATOM 24552 HW1 SOL 7660 42.410 18.860 61.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24557 ATOM 24553 HW2 SOL 7660 42.750 18.510 62.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24558 ATOM 24554 OW SOL 7661 53.000 29.900 56.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24559 ATOM 24555 HW1 SOL 7661 53.050 29.100 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24560 ATOM 24556 HW2 SOL 7661 52.120 30.350 56.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24561 ATOM 24557 OW SOL 7662 39.070 18.220 58.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24562 ATOM 24558 HW1 SOL 7662 39.270 18.780 57.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24563 ATOM 24559 HW2 SOL 7662 39.900 17.740 58.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24564 ATOM 24560 OW SOL 7663 46.120 19.880 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24565 ATOM 24561 HW1 SOL 7663 45.850 19.900 59.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24566 ATOM 24562 HW2 SOL 7663 47.020 20.300 60.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24567 ATOM 24563 OW SOL 7664 47.120 24.480 70.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24568 ATOM 24564 HW1 SOL 7664 46.760 23.680 70.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24569 ATOM 24565 HW2 SOL 7664 48.070 24.330 71.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24570 ATOM 24566 OW SOL 7665 48.960 32.900 63.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24571 ATOM 24567 HW1 SOL 7665 49.880 32.610 64.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24572 ATOM 24568 HW2 SOL 7665 48.590 32.260 63.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24573 ATOM 24569 OW SOL 7666 42.770 28.300 63.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24574 ATOM 24570 HW1 SOL 7666 42.510 29.090 63.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24575 ATOM 24571 HW2 SOL 7666 42.240 28.300 62.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24576 ATOM 24572 OW SOL 7667 50.140 36.540 61.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24577 ATOM 24573 HW1 SOL 7667 50.060 37.370 61.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24578 ATOM 24574 HW2 SOL 7667 49.230 36.250 62.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24579 ATOM 24575 OW SOL 7668 46.640 21.500 55.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24580 ATOM 24576 HW1 SOL 7668 46.230 22.310 55.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24581 ATOM 24577 HW2 SOL 7668 47.230 21.790 56.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24582 ATOM 24578 OW SOL 7669 37.800 23.890 69.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24583 ATOM 24579 HW1 SOL 7669 38.650 23.760 69.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24584 ATOM 24580 HW2 SOL 7669 38.020 24.250 70.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24585 ATOM 24581 OW SOL 7670 42.230 19.600 66.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24586 ATOM 24582 HW1 SOL 7670 42.700 19.190 67.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24587 ATOM 24583 HW2 SOL 7670 41.250 19.410 67.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24588 ATOM 24584 OW SOL 7671 47.230 22.500 62.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24589 ATOM 24585 HW1 SOL 7671 46.430 23.100 62.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24590 ATOM 24586 HW2 SOL 7671 46.930 21.600 62.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24591 ATOM 24587 OW SOL 7672 46.220 20.120 63.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24592 ATOM 24588 HW1 SOL 7672 45.750 19.810 62.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24593 ATOM 24589 HW2 SOL 7672 46.640 19.340 63.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24594 ATOM 24590 OW SOL 7673 52.270 29.760 63.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24595 ATOM 24591 HW1 SOL 7673 52.250 28.840 63.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24596 ATOM 24592 HW2 SOL 7673 53.160 29.920 63.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24597 ATOM 24593 OW SOL 7674 52.350 25.250 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24598 ATOM 24594 HW1 SOL 7674 51.670 24.520 64.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24599 ATOM 24595 HW2 SOL 7674 53.110 25.060 65.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24600 ATOM 24596 OW SOL 7675 55.480 25.320 58.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24601 ATOM 24597 HW1 SOL 7675 56.170 25.270 59.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24602 ATOM 24598 HW2 SOL 7675 55.600 24.570 58.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24603 ATOM 24599 OW SOL 7676 39.710 30.680 59.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24604 ATOM 24600 HW1 SOL 7676 38.970 31.290 60.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24605 ATOM 24601 HW2 SOL 7676 39.330 29.970 59.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24606 ATOM 24602 OW SOL 7677 54.370 31.010 59.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24607 ATOM 24603 HW1 SOL 7677 54.770 31.150 60.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24608 ATOM 24604 HW2 SOL 7677 53.370 31.110 60.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24609 ATOM 24605 OW SOL 7678 49.880 23.790 56.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24610 ATOM 24606 HW1 SOL 7678 49.140 23.330 57.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24611 ATOM 24607 HW2 SOL 7678 50.750 23.380 57.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24612 ATOM 24608 OW SOL 7679 42.460 20.520 58.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24613 ATOM 24609 HW1 SOL 7679 43.400 20.700 57.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24614 ATOM 24610 HW2 SOL 7679 41.860 21.230 57.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24615 ATOM 24611 OW SOL 7680 53.340 29.650 69.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24616 ATOM 24612 HW1 SOL 7680 53.780 28.810 70.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24617 ATOM 24613 HW2 SOL 7680 53.880 30.440 70.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24618 ATOM 24614 OW SOL 7681 46.100 29.680 68.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24619 ATOM 24615 HW1 SOL 7681 46.770 29.480 68.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24620 ATOM 24616 HW2 SOL 7681 45.600 30.510 68.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24621 ATOM 24617 OW SOL 7682 49.690 30.080 66.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24622 ATOM 24618 HW1 SOL 7682 49.930 30.510 67.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24623 ATOM 24619 HW2 SOL 7682 48.800 30.420 66.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24624 ATOM 24620 OW SOL 7683 52.690 28.610 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24625 ATOM 24621 HW1 SOL 7683 51.790 28.260 66.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24626 ATOM 24622 HW2 SOL 7683 52.600 29.240 67.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24627 ATOM 24623 OW SOL 7684 47.540 19.970 70.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24628 ATOM 24624 HW1 SOL 7684 47.280 19.100 69.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24629 ATOM 24625 HW2 SOL 7684 48.490 19.920 70.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24630 ATOM 24626 OW SOL 7685 43.920 27.200 59.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24631 ATOM 24627 HW1 SOL 7685 44.510 26.500 58.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24632 ATOM 24628 HW2 SOL 7685 44.070 27.230 60.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24633 ATOM 24629 OW SOL 7686 40.900 26.000 69.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24634 ATOM 24630 HW1 SOL 7686 41.660 25.820 70.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24635 ATOM 24631 HW2 SOL 7686 40.710 25.190 69.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24636 ATOM 24632 OW SOL 7687 50.070 23.100 67.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24637 ATOM 24633 HW1 SOL 7687 50.150 24.080 68.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24638 ATOM 24634 HW2 SOL 7687 49.100 22.840 67.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24639 ATOM 24635 OW SOL 7688 37.730 31.620 68.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24640 ATOM 24636 HW1 SOL 7688 37.210 32.170 68.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24641 ATOM 24637 HW2 SOL 7688 38.690 31.910 68.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24642 ATOM 24638 OW SOL 7689 41.300 28.450 61.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24643 ATOM 24639 HW1 SOL 7689 40.360 28.500 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24644 ATOM 24640 HW2 SOL 7689 41.410 27.640 60.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24645 ATOM 24641 OW SOL 7690 43.550 21.320 63.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24646 ATOM 24642 HW1 SOL 7690 43.000 21.180 62.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24647 ATOM 24643 HW2 SOL 7690 43.930 22.250 63.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24648 ATOM 24644 OW SOL 7691 49.280 32.090 59.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24649 ATOM 24645 HW1 SOL 7691 50.010 32.490 60.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24650 ATOM 24646 HW2 SOL 7691 48.420 32.570 59.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24651 ATOM 24647 OW SOL 7692 51.960 33.370 69.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24652 ATOM 24648 HW1 SOL 7692 52.590 33.160 70.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24653 ATOM 24649 HW2 SOL 7692 52.240 34.210 69.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24654 ATOM 24650 OW SOL 7693 52.600 24.540 58.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24655 ATOM 24651 HW1 SOL 7693 51.870 25.220 58.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24656 ATOM 24652 HW2 SOL 7693 53.480 24.990 58.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24657 ATOM 24653 OW SOL 7694 41.120 33.770 68.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24658 ATOM 24654 HW1 SOL 7694 40.690 33.280 67.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24659 ATOM 24655 HW2 SOL 7694 42.090 33.910 68.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24660 ATOM 24656 OW SOL 7695 41.270 24.720 0.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24661 ATOM 24657 HW1 SOL 7695 41.870 25.350 -0.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24662 ATOM 24658 HW2 SOL 7695 41.800 23.930 0.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24663 ATOM 24659 OW SOL 7696 52.620 26.550 71.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24664 ATOM 24660 HW1 SOL 7696 52.450 27.350 72.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24665 ATOM 24661 HW2 SOL 7696 53.550 26.590 71.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24666 ATOM 24662 OW SOL 7697 44.290 25.930 67.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24667 ATOM 24663 HW1 SOL 7697 44.090 26.830 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24668 ATOM 24664 HW2 SOL 7697 45.110 25.980 68.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24669 ATOM 24665 OW SOL 7698 50.690 26.990 66.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24670 ATOM 24666 HW1 SOL 7698 49.720 26.790 66.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24671 ATOM 24667 HW2 SOL 7698 51.130 26.300 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24672 ATOM 24668 OW SOL 7699 48.010 22.320 58.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24673 ATOM 24669 HW1 SOL 7699 48.270 21.830 58.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24674 ATOM 24670 HW2 SOL 7699 47.110 22.730 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24675 ATOM 24671 OW SOL 7700 39.610 19.200 67.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24676 ATOM 24672 HW1 SOL 7700 39.440 19.590 67.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24677 ATOM 24673 HW2 SOL 7700 38.990 18.430 66.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24678 ATOM 24674 OW SOL 7701 37.610 29.040 67.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24679 ATOM 24675 HW1 SOL 7701 38.560 28.720 67.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24680 ATOM 24676 HW2 SOL 7701 37.490 29.790 68.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24681 ATOM 24677 OW SOL 7702 44.600 23.430 66.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24682 ATOM 24678 HW1 SOL 7702 45.440 23.080 66.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24683 ATOM 24679 HW2 SOL 7702 44.450 24.380 66.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24684 ATOM 24680 OW SOL 7703 38.810 18.540 63.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24685 ATOM 24681 HW1 SOL 7703 39.090 19.440 63.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24686 ATOM 24682 HW2 SOL 7703 39.230 17.830 63.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24687 ATOM 24683 OW SOL 7704 52.100 21.710 58.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24688 ATOM 24684 HW1 SOL 7704 52.750 21.050 58.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24689 ATOM 24685 HW2 SOL 7704 52.410 22.640 58.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24690 ATOM 24686 OW SOL 7705 47.940 25.710 66.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24691 ATOM 24687 HW1 SOL 7705 47.390 25.770 67.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24692 ATOM 24688 HW2 SOL 7705 47.770 24.840 65.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24693 ATOM 24689 OW SOL 7706 54.890 32.090 70.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24694 ATOM 24690 HW1 SOL 7706 55.500 32.870 70.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24695 ATOM 24691 HW2 SOL 7706 54.730 31.970 71.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24696 ATOM 24692 OW SOL 7707 50.460 19.300 56.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24697 ATOM 24693 HW1 SOL 7707 50.420 18.660 57.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24698 ATOM 24694 HW2 SOL 7707 50.880 20.150 57.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24699 ATOM 24695 OW SOL 7708 49.390 26.190 55.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24700 ATOM 24696 HW1 SOL 7708 49.830 25.460 56.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24701 ATOM 24697 HW2 SOL 7708 49.980 26.420 55.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24702 ATOM 24698 OW SOL 7709 48.190 30.610 62.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24703 ATOM 24699 HW1 SOL 7709 48.500 29.880 63.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24704 ATOM 24700 HW2 SOL 7709 48.080 30.250 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24705 ATOM 24701 OW SOL 7710 41.720 25.480 66.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24706 ATOM 24702 HW1 SOL 7710 42.580 25.480 67.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24707 ATOM 24703 HW2 SOL 7710 41.630 24.610 66.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24708 ATOM 24704 OW SOL 7711 41.630 23.000 65.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24709 ATOM 24705 HW1 SOL 7711 41.020 22.310 64.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24710 ATOM 24706 HW2 SOL 7711 42.580 22.700 65.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24711 ATOM 24707 OW SOL 7712 50.350 20.350 71.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24712 ATOM 24708 HW1 SOL 7712 50.480 20.420 72.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24713 ATOM 24709 HW2 SOL 7712 51.180 20.650 70.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24714 ATOM 24710 OW SOL 7713 38.030 29.710 57.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24715 ATOM 24711 HW1 SOL 7713 37.170 30.220 57.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24716 ATOM 24712 HW2 SOL 7713 37.860 28.730 57.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24717 ATOM 24713 OW SOL 7714 37.050 35.470 65.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24718 ATOM 24714 HW1 SOL 7714 36.530 35.730 64.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24719 ATOM 24715 HW2 SOL 7714 38.020 35.610 65.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24720 ATOM 24716 OW SOL 7715 42.300 32.330 64.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24721 ATOM 24717 HW1 SOL 7715 43.280 32.350 64.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24722 ATOM 24718 HW2 SOL 7715 41.800 32.420 63.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24723 ATOM 24719 OW SOL 7716 46.750 26.200 68.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24724 ATOM 24720 HW1 SOL 7716 47.630 26.670 69.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24725 ATOM 24721 HW2 SOL 7716 46.650 25.530 69.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24726 ATOM 24722 OW SOL 7717 36.020 23.760 67.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24727 ATOM 24723 HW1 SOL 7717 36.690 23.810 68.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24728 ATOM 24724 HW2 SOL 7717 35.830 24.680 67.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24729 ATOM 24725 OW SOL 7718 45.550 22.800 59.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24730 ATOM 24726 HW1 SOL 7718 44.960 22.650 58.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24731 ATOM 24727 HW2 SOL 7718 45.090 22.460 60.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24732 ATOM 24728 OW SOL 7719 53.490 24.390 66.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24733 ATOM 24729 HW1 SOL 7719 52.730 23.740 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24734 ATOM 24730 HW2 SOL 7719 54.360 23.890 67.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24735 ATOM 24731 OW SOL 7720 40.700 33.480 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24736 ATOM 24732 HW1 SOL 7720 40.710 32.700 71.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24737 ATOM 24733 HW2 SOL 7720 40.720 33.150 70.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24738 ATOM 24734 OW SOL 7721 43.300 22.130 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24739 ATOM 24735 HW1 SOL 7721 43.150 21.150 67.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24740 ATOM 24736 HW2 SOL 7721 43.860 22.500 67.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24741 ATOM 24737 OW SOL 7722 46.610 33.770 68.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24742 ATOM 24738 HW1 SOL 7722 47.150 33.110 67.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24743 ATOM 24739 HW2 SOL 7722 47.130 34.620 68.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24744 ATOM 24740 OW SOL 7723 40.400 22.760 57.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24745 ATOM 24741 HW1 SOL 7723 41.180 23.360 57.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24746 ATOM 24742 HW2 SOL 7723 39.570 23.310 57.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24747 ATOM 24743 OW SOL 7724 39.550 28.310 70.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24748 ATOM 24744 HW1 SOL 7724 38.660 28.290 70.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24749 ATOM 24745 HW2 SOL 7724 40.000 27.430 70.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24750 ATOM 24746 OW SOL 7725 49.260 27.240 69.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24751 ATOM 24747 HW1 SOL 7725 49.750 27.640 68.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24752 ATOM 24748 HW2 SOL 7725 49.000 27.950 70.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24753 ATOM 24749 OW SOL 7726 52.080 27.200 60.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24754 ATOM 24750 HW1 SOL 7726 52.410 27.030 60.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24755 ATOM 24751 HW2 SOL 7726 51.170 27.610 60.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24756 ATOM 24752 OW SOL 7727 52.860 35.580 68.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24757 ATOM 24753 HW1 SOL 7727 53.830 35.810 68.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24758 ATOM 24754 HW2 SOL 7727 52.420 35.560 67.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24759 ATOM 24755 OW SOL 7728 49.590 33.910 67.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24760 ATOM 24756 HW1 SOL 7728 50.590 33.860 67.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24761 ATOM 24757 HW2 SOL 7728 49.210 33.580 67.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24762 ATOM 24758 OW SOL 7729 38.720 31.060 65.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24763 ATOM 24759 HW1 SOL 7729 38.300 30.350 66.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24764 ATOM 24760 HW2 SOL 7729 38.420 30.950 64.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24765 ATOM 24761 OW SOL 7730 54.010 20.110 59.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24766 ATOM 24762 HW1 SOL 7730 53.930 19.650 58.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24767 ATOM 24763 HW2 SOL 7730 54.050 19.430 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24768 ATOM 24764 OW SOL 7731 51.160 34.060 61.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24769 ATOM 24765 HW1 SOL 7731 51.360 34.180 60.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24770 ATOM 24766 HW2 SOL 7731 50.660 34.860 61.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24771 ATOM 24767 OW SOL 7732 49.590 27.570 61.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24772 ATOM 24768 HW1 SOL 7732 49.740 28.100 62.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24773 ATOM 24769 HW2 SOL 7732 49.610 28.190 61.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24774 ATOM 24770 OW SOL 7733 43.830 30.390 70.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24775 ATOM 24771 HW1 SOL 7733 44.450 30.870 70.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24776 ATOM 24772 HW2 SOL 7733 43.520 31.020 69.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24777 ATOM 24773 OW SOL 7734 41.770 29.860 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24778 ATOM 24774 HW1 SOL 7734 41.200 30.640 58.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24779 ATOM 24775 HW2 SOL 7734 41.690 29.140 58.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24780 ATOM 24776 OW SOL 7735 51.790 37.300 70.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24781 ATOM 24777 HW1 SOL 7735 52.420 36.980 70.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24782 ATOM 24778 HW2 SOL 7735 51.900 38.280 70.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24783 ATOM 24779 OW SOL 7736 54.510 21.510 64.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24784 ATOM 24780 HW1 SOL 7736 54.350 20.540 64.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24785 ATOM 24781 HW2 SOL 7736 53.850 21.860 64.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24786 ATOM 24782 OW SOL 7737 39.790 21.590 62.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24787 ATOM 24783 HW1 SOL 7737 39.010 22.000 61.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24788 ATOM 24784 HW2 SOL 7737 39.590 21.510 63.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24789 ATOM 24785 OW SOL 7738 47.620 33.130 56.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24790 ATOM 24786 HW1 SOL 7738 48.080 32.300 56.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24791 ATOM 24787 HW2 SOL 7738 46.780 33.260 56.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24792 ATOM 24788 OW SOL 7739 44.820 27.770 70.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24793 ATOM 24789 HW1 SOL 7739 45.390 27.940 69.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24794 ATOM 24790 HW2 SOL 7739 44.400 28.630 70.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24795 ATOM 24791 OW SOL 7740 49.120 29.050 56.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24796 ATOM 24792 HW1 SOL 7740 48.270 29.090 55.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24797 ATOM 24793 HW2 SOL 7740 49.290 28.100 56.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24798 ATOM 24794 OW SOL 7741 51.080 33.680 55.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24799 ATOM 24795 HW1 SOL 7741 50.960 32.850 56.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24800 ATOM 24796 HW2 SOL 7741 51.300 33.430 54.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24801 ATOM 24797 OW SOL 7742 40.920 30.470 71.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24802 ATOM 24798 HW1 SOL 7742 41.760 30.370 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24803 ATOM 24799 HW2 SOL 7742 40.200 29.910 71.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24804 ATOM 24800 OW SOL 7743 50.570 30.410 69.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24805 ATOM 24801 HW1 SOL 7743 51.410 29.900 69.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24806 ATOM 24802 HW2 SOL 7743 50.770 31.390 69.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24807 ATOM 24803 OW SOL 7744 48.920 28.740 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24808 ATOM 24804 HW1 SOL 7744 48.060 28.300 64.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24809 ATOM 24805 HW2 SOL 7744 49.420 28.940 65.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24810 ATOM 24806 OW SOL 7745 46.150 20.780 66.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24811 ATOM 24807 HW1 SOL 7745 45.810 20.510 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24812 ATOM 24808 HW2 SOL 7745 45.950 20.060 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24813 ATOM 24809 OW SOL 7746 41.220 32.210 61.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24814 ATOM 24810 HW1 SOL 7746 40.580 31.660 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24815 ATOM 24811 HW2 SOL 7746 41.230 33.140 61.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24816 ATOM 24812 OW SOL 7747 53.880 23.490 70.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24817 ATOM 24813 HW1 SOL 7747 54.190 23.470 71.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24818 ATOM 24814 HW2 SOL 7747 54.650 23.730 70.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24819 ATOM 24815 OW SOL 7748 38.060 32.570 60.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24820 ATOM 24816 HW1 SOL 7748 38.580 33.320 61.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24821 ATOM 24817 HW2 SOL 7748 37.220 32.930 60.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24822 ATOM 24818 OW SOL 7749 37.030 27.490 71.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24823 ATOM 24819 HW1 SOL 7749 36.070 27.240 71.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24824 ATOM 24820 HW2 SOL 7749 37.370 27.790 72.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24825 ATOM 24821 OW SOL 7750 45.060 20.880 71.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24826 ATOM 24822 HW1 SOL 7750 46.020 20.680 71.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24827 ATOM 24823 HW2 SOL 7750 44.880 20.860 72.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24828 ATOM 24824 OW SOL 7751 37.390 20.290 59.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24829 ATOM 24825 HW1 SOL 7751 37.830 19.420 59.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24830 ATOM 24826 HW2 SOL 7751 37.160 20.780 58.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24831 ATOM 24827 OW SOL 7752 50.660 25.160 70.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24832 ATOM 24828 HW1 SOL 7752 50.320 25.950 70.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24833 ATOM 24829 HW2 SOL 7752 51.540 25.380 71.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24834 ATOM 24830 OW SOL 7753 37.580 17.900 61.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24835 ATOM 24831 HW1 SOL 7753 37.910 18.020 61.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24836 ATOM 24832 HW2 SOL 7753 38.340 17.940 60.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24837 ATOM 24833 OW SOL 7754 50.530 31.180 57.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24838 ATOM 24834 HW1 SOL 7754 49.960 30.470 56.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24839 ATOM 24835 HW2 SOL 7754 50.210 31.380 57.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24840 ATOM 24836 OW SOL 7755 43.200 25.820 71.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24841 ATOM 24837 HW1 SOL 7755 43.870 26.540 71.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24842 ATOM 24838 HW2 SOL 7755 43.590 24.940 71.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24843 ATOM 24839 OW SOL 7756 51.570 35.720 66.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24844 ATOM 24840 HW1 SOL 7756 51.600 36.410 65.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24845 ATOM 24841 HW2 SOL 7756 52.000 34.880 66.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24846 ATOM 24842 OW SOL 7757 43.080 23.250 1.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24847 ATOM 24843 HW1 SOL 7757 43.970 23.660 2.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24848 ATOM 24844 HW2 SOL 7757 43.150 22.260 1.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24849 ATOM 24845 OW SOL 7758 39.690 36.180 71.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24850 ATOM 24846 HW1 SOL 7758 40.100 35.300 70.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24851 ATOM 24847 HW2 SOL 7758 39.380 36.150 71.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24852 ATOM 24848 OW SOL 7759 54.480 26.680 68.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24853 ATOM 24849 HW1 SOL 7759 54.160 25.820 67.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24854 ATOM 24850 HW2 SOL 7759 53.800 27.400 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24855 ATOM 24851 OW SOL 7760 48.530 21.200 60.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24856 ATOM 24852 HW1 SOL 7760 49.430 20.760 60.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24857 ATOM 24853 HW2 SOL 7760 48.320 21.690 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24858 ATOM 24854 OW SOL 7761 44.940 24.030 62.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24859 ATOM 24855 HW1 SOL 7761 44.790 24.970 63.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24860 ATOM 24856 HW2 SOL 7761 44.240 23.780 62.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24861 ATOM 24857 OW SOL 7762 54.840 27.210 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24862 ATOM 24858 HW1 SOL 7762 55.700 27.250 71.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24863 ATOM 24859 HW2 SOL 7762 55.000 26.840 69.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24864 ATOM 24860 OW SOL 7763 44.960 30.260 57.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24865 ATOM 24861 HW1 SOL 7763 45.670 29.550 57.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24866 ATOM 24862 HW2 SOL 7763 44.080 29.880 58.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24867 ATOM 24863 OW SOL 7764 43.540 35.460 63.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24868 ATOM 24864 HW1 SOL 7764 42.790 35.080 64.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24869 ATOM 24865 HW2 SOL 7764 43.160 36.080 63.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24870 ATOM 24866 OW SOL 7765 46.510 27.660 64.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24871 ATOM 24867 HW1 SOL 7765 47.100 26.960 65.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24872 ATOM 24868 HW2 SOL 7765 45.690 27.780 65.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24873 ATOM 24869 OW SOL 7766 46.580 25.690 55.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24874 ATOM 24870 HW1 SOL 7766 46.340 25.650 56.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24875 ATOM 24871 HW2 SOL 7766 47.580 25.660 55.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24876 ATOM 24872 OW SOL 7767 53.640 35.330 61.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24877 ATOM 24873 HW1 SOL 7767 53.840 35.410 60.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24878 ATOM 24874 HW2 SOL 7767 52.810 34.780 61.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24879 ATOM 24875 OW SOL 7768 38.350 30.620 63.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24880 ATOM 24876 HW1 SOL 7768 38.620 29.750 62.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24881 ATOM 24877 HW2 SOL 7768 38.220 31.300 62.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24882 ATOM 24878 OW SOL 7769 45.180 32.830 70.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24883 ATOM 24879 HW1 SOL 7769 44.520 33.500 70.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24884 ATOM 24880 HW2 SOL 7769 45.680 33.230 69.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24885 ATOM 24881 OW SOL 7770 53.620 19.720 68.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24886 ATOM 24882 HW1 SOL 7770 53.340 20.180 69.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24887 ATOM 24883 HW2 SOL 7770 54.580 19.920 68.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24888 ATOM 24884 OW SOL 7771 42.160 20.870 60.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24889 ATOM 24885 HW1 SOL 7771 42.080 20.590 59.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24890 ATOM 24886 HW2 SOL 7771 41.260 20.970 61.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24891 ATOM 24887 OW SOL 7772 53.020 33.960 65.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24892 ATOM 24888 HW1 SOL 7772 52.420 33.220 64.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24893 ATOM 24889 HW2 SOL 7772 53.970 33.640 65.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24894 ATOM 24890 OW SOL 7773 40.240 23.540 68.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24895 ATOM 24891 HW1 SOL 7773 40.820 22.800 68.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24896 ATOM 24892 HW2 SOL 7773 40.440 23.700 67.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24897 ATOM 24893 OW SOL 7774 45.340 34.120 62.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24898 ATOM 24894 HW1 SOL 7774 44.590 34.510 63.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24899 ATOM 24895 HW2 SOL 7774 45.570 33.210 62.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24900 ATOM 24896 OW SOL 7775 52.370 21.940 66.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24901 ATOM 24897 HW1 SOL 7775 52.850 21.180 67.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24902 ATOM 24898 HW2 SOL 7775 51.600 22.220 67.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24903 ATOM 24899 OW SOL 7776 47.120 17.980 68.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24904 ATOM 24900 HW1 SOL 7776 46.710 17.110 67.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24905 ATOM 24901 HW2 SOL 7776 47.910 18.180 67.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24906 ATOM 24902 OW SOL 7777 47.150 28.470 58.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24907 ATOM 24903 HW1 SOL 7777 47.210 28.170 57.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24908 ATOM 24904 HW2 SOL 7777 46.760 27.730 59.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24909 ATOM 24905 OW SOL 7778 43.920 33.970 67.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24910 ATOM 24906 HW1 SOL 7778 44.810 33.960 67.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24911 ATOM 24907 HW2 SOL 7778 43.880 34.750 66.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24912 ATOM 24908 OW SOL 7779 50.310 17.260 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24913 ATOM 24909 HW1 SOL 7779 50.800 16.500 58.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24914 ATOM 24910 HW2 SOL 7779 49.330 17.060 58.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24915 ATOM 24911 OW SOL 7780 49.840 24.840 61.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24916 ATOM 24912 HW1 SOL 7780 49.940 25.830 62.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24917 ATOM 24913 HW2 SOL 7780 48.980 24.560 62.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24918 ATOM 24914 OW SOL 7781 52.090 21.970 63.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24919 ATOM 24915 HW1 SOL 7781 51.560 22.430 64.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24920 ATOM 24916 HW2 SOL 7781 52.050 22.520 62.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24921 ATOM 24917 OW SOL 7782 37.550 27.100 59.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24922 ATOM 24918 HW1 SOL 7782 37.650 27.210 60.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24923 ATOM 24919 HW2 SOL 7782 37.690 26.140 59.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24924 ATOM 24920 OW SOL 7783 45.470 34.370 57.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24925 ATOM 24921 HW1 SOL 7783 44.840 33.870 57.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24926 ATOM 24922 HW2 SOL 7783 45.120 35.290 57.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24927 ATOM 24923 OW SOL 7784 38.980 42.320 1.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24928 ATOM 24924 HW1 SOL 7784 38.080 41.890 1.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24929 ATOM 24925 HW2 SOL 7784 39.210 42.660 0.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24930 ATOM 24926 OW SOL 7785 39.810 38.670 10.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24931 ATOM 24927 HW1 SOL 7785 40.250 38.440 11.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24932 ATOM 24928 HW2 SOL 7785 38.820 38.580 10.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24933 ATOM 24929 OW SOL 7786 35.840 41.070 5.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24934 ATOM 24930 HW1 SOL 7786 35.280 40.640 6.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24935 ATOM 24931 HW2 SOL 7786 35.910 40.450 5.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24936 ATOM 24932 OW SOL 7787 42.560 50.770 9.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24937 ATOM 24933 HW1 SOL 7787 42.880 50.520 8.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24938 ATOM 24934 HW2 SOL 7787 41.620 50.460 9.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24939 ATOM 24935 OW SOL 7788 53.080 53.250 7.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24940 ATOM 24936 HW1 SOL 7788 53.210 52.470 7.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24941 ATOM 24937 HW2 SOL 7788 53.000 52.920 6.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24942 ATOM 24938 OW SOL 7789 47.980 42.950 5.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24943 ATOM 24939 HW1 SOL 7789 48.450 43.630 5.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24944 ATOM 24940 HW2 SOL 7789 47.260 42.510 5.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24945 ATOM 24941 OW SOL 7790 54.430 40.040 1.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24946 ATOM 24942 HW1 SOL 7790 55.110 40.290 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24947 ATOM 24943 HW2 SOL 7790 53.510 40.190 1.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24948 ATOM 24944 OW SOL 7791 43.830 47.960 9.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24949 ATOM 24945 HW1 SOL 7791 43.360 48.820 10.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24950 ATOM 24946 HW2 SOL 7791 44.100 47.910 8.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24951 ATOM 24947 OW SOL 7792 45.280 43.270 19.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24952 ATOM 24948 HW1 SOL 7792 45.860 43.940 19.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24953 ATOM 24949 HW2 SOL 7792 44.350 43.350 19.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24954 ATOM 24950 OW SOL 7793 45.850 46.110 6.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24955 ATOM 24951 HW1 SOL 7793 46.100 45.820 6.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24956 ATOM 24952 HW2 SOL 7793 45.450 45.340 5.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24957 ATOM 24953 OW SOL 7794 43.380 47.780 13.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24958 ATOM 24954 HW1 SOL 7794 43.030 48.700 13.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24959 ATOM 24955 HW2 SOL 7794 42.620 47.130 13.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24960 ATOM 24956 OW SOL 7795 38.490 51.860 9.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24961 ATOM 24957 HW1 SOL 7795 38.380 50.870 9.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24962 ATOM 24958 HW2 SOL 7795 38.470 52.170 8.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24963 ATOM 24959 OW SOL 7796 51.150 52.180 13.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24964 ATOM 24960 HW1 SOL 7796 51.850 52.850 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24965 ATOM 24961 HW2 SOL 7796 50.940 51.580 13.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24966 ATOM 24962 OW SOL 7797 43.130 40.390 14.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24967 ATOM 24963 HW1 SOL 7797 43.740 39.650 13.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24968 ATOM 24964 HW2 SOL 7797 42.390 40.030 14.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24969 ATOM 24965 OW SOL 7798 52.310 39.970 6.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24970 ATOM 24966 HW1 SOL 7798 52.360 39.770 7.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24971 ATOM 24967 HW2 SOL 7798 51.360 39.970 5.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24972 ATOM 24968 OW SOL 7799 39.920 51.810 4.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24973 ATOM 24969 HW1 SOL 7799 39.660 51.680 3.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24974 ATOM 24970 HW2 SOL 7799 40.680 52.460 4.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24975 ATOM 24971 OW SOL 7800 46.390 48.790 17.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24976 ATOM 24972 HW1 SOL 7800 46.790 48.920 16.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24977 ATOM 24973 HW2 SOL 7800 47.110 48.510 18.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24978 ATOM 24974 OW SOL 7801 36.580 51.180 2.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24979 ATOM 24975 HW1 SOL 7801 35.900 51.860 2.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24980 ATOM 24976 HW2 SOL 7801 36.640 50.490 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24981 ATOM 24977 OW SOL 7802 40.310 48.760 9.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24982 ATOM 24978 HW1 SOL 7802 40.360 48.150 9.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24983 ATOM 24979 HW2 SOL 7802 39.500 49.350 9.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24984 ATOM 24980 OW SOL 7803 41.800 54.910 14.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24985 ATOM 24981 HW1 SOL 7803 41.500 54.570 15.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24986 ATOM 24982 HW2 SOL 7803 42.440 55.670 14.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24987 ATOM 24983 OW SOL 7804 44.020 48.010 3.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24988 ATOM 24984 HW1 SOL 7804 44.800 47.830 3.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24989 ATOM 24985 HW2 SOL 7804 43.280 48.440 3.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24990 ATOM 24986 OW SOL 7805 50.830 39.210 14.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24991 ATOM 24987 HW1 SOL 7805 50.160 39.410 13.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24992 ATOM 24988 HW2 SOL 7805 51.690 39.680 13.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24993 ATOM 24989 OW SOL 7806 37.320 41.900 8.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24994 ATOM 24990 HW1 SOL 7806 36.700 41.630 7.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24995 ATOM 24991 HW2 SOL 7806 37.800 42.740 7.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24996 ATOM 24992 OW SOL 7807 56.080 52.910 0.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24997 ATOM 24993 HW1 SOL 7807 56.450 53.330 1.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24998 ATOM 24994 HW2 SOL 7807 55.760 53.630 -0.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
24999 ATOM 24995 OW SOL 7808 38.040 49.020 0.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25000 ATOM 24996 HW1 SOL 7808 37.070 48.820 0.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25001 ATOM 24997 HW2 SOL 7808 38.390 49.530 -0.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25002 ATOM 24998 OW SOL 7809 54.520 46.330 6.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25003 ATOM 24999 HW1 SOL 7809 54.830 45.910 5.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25004 ATOM 25000 HW2 SOL 7809 54.370 47.310 5.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25005 ATOM 25001 OW SOL 7810 53.540 47.650 3.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25006 ATOM 25002 HW1 SOL 7810 52.710 47.100 3.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25007 ATOM 25003 HW2 SOL 7810 54.340 47.050 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25008 ATOM 25004 OW SOL 7811 38.740 43.880 15.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25009 ATOM 25005 HW1 SOL 7811 39.240 44.380 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25010 ATOM 25006 HW2 SOL 7811 37.940 44.410 15.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25011 ATOM 25007 OW SOL 7812 42.740 50.760 6.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25012 ATOM 25008 HW1 SOL 7812 42.180 50.010 6.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25013 ATOM 25009 HW2 SOL 7812 43.710 50.540 6.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25014 ATOM 25010 OW SOL 7813 47.680 49.280 15.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25015 ATOM 25011 HW1 SOL 7813 47.330 48.530 14.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25016 ATOM 25012 HW2 SOL 7813 48.330 49.820 14.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25017 ATOM 25013 OW SOL 7814 44.670 36.720 4.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25018 ATOM 25014 HW1 SOL 7814 45.220 37.540 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25019 ATOM 25015 HW2 SOL 7814 43.780 36.990 4.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25020 ATOM 25016 OW SOL 7815 41.140 46.150 13.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25021 ATOM 25017 HW1 SOL 7815 41.540 45.450 12.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25022 ATOM 25018 HW2 SOL 7815 40.490 46.700 12.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25023 ATOM 25019 OW SOL 7816 51.270 46.010 3.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25024 ATOM 25020 HW1 SOL 7816 51.420 45.050 3.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25025 ATOM 25021 HW2 SOL 7816 50.460 46.350 2.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25026 ATOM 25022 OW SOL 7817 49.320 55.490 15.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25027 ATOM 25023 HW1 SOL 7817 48.680 56.210 15.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25028 ATOM 25024 HW2 SOL 7817 49.010 54.610 15.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25029 ATOM 25025 OW SOL 7818 40.940 39.330 15.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25030 ATOM 25026 HW1 SOL 7818 40.130 38.740 15.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25031 ATOM 25027 HW2 SOL 7818 40.830 40.080 16.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25032 ATOM 25028 OW SOL 7819 52.660 50.780 8.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25033 ATOM 25029 HW1 SOL 7819 52.200 50.720 9.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25034 ATOM 25030 HW2 SOL 7819 52.470 49.960 8.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25035 ATOM 25031 OW SOL 7820 53.320 56.920 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25036 ATOM 25032 HW1 SOL 7820 54.130 56.750 3.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25037 ATOM 25033 HW2 SOL 7820 52.820 56.070 4.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25038 ATOM 25034 OW SOL 7821 42.630 45.690 4.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25039 ATOM 25035 HW1 SOL 7821 43.170 46.510 4.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25040 ATOM 25036 HW2 SOL 7821 43.200 45.050 5.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25041 ATOM 25037 OW SOL 7822 50.800 40.940 8.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25042 ATOM 25038 HW1 SOL 7822 50.160 41.630 8.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25043 ATOM 25039 HW2 SOL 7822 50.630 40.070 8.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25044 ATOM 25040 OW SOL 7823 53.560 53.990 1.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25045 ATOM 25041 HW1 SOL 7823 54.160 53.420 1.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25046 ATOM 25042 HW2 SOL 7823 53.090 54.650 1.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25047 ATOM 25043 OW SOL 7824 44.640 42.340 15.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25048 ATOM 25044 HW1 SOL 7824 45.390 41.980 15.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25049 ATOM 25045 HW2 SOL 7824 44.180 41.600 14.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25050 ATOM 25046 OW SOL 7825 49.350 41.460 16.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25051 ATOM 25047 HW1 SOL 7825 49.680 42.090 16.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25052 ATOM 25048 HW2 SOL 7825 49.330 40.530 16.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25053 ATOM 25049 OW SOL 7826 47.160 46.720 14.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25054 ATOM 25050 HW1 SOL 7826 47.270 45.730 14.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25055 ATOM 25051 HW2 SOL 7826 46.530 46.980 13.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25056 ATOM 25052 OW SOL 7827 47.240 40.360 10.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25057 ATOM 25053 HW1 SOL 7827 47.240 39.600 9.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25058 ATOM 25054 HW2 SOL 7827 46.310 40.510 10.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25059 ATOM 25055 OW SOL 7828 46.860 44.390 3.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25060 ATOM 25056 HW1 SOL 7828 47.330 44.120 3.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25061 ATOM 25057 HW2 SOL 7828 46.230 43.670 2.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25062 ATOM 25058 OW SOL 7829 39.050 43.730 7.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25063 ATOM 25059 HW1 SOL 7829 39.720 43.530 7.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25064 ATOM 25060 HW2 SOL 7829 39.500 44.250 6.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25065 ATOM 25061 OW SOL 7830 38.150 54.950 15.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25066 ATOM 25062 HW1 SOL 7830 38.350 55.440 16.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25067 ATOM 25063 HW2 SOL 7830 37.260 54.490 15.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25068 ATOM 25064 OW SOL 7831 47.880 39.730 1.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25069 ATOM 25065 HW1 SOL 7831 47.680 40.460 0.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25070 ATOM 25066 HW2 SOL 7831 48.480 40.070 1.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25071 ATOM 25067 OW SOL 7832 52.670 42.540 18.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25072 ATOM 25068 HW1 SOL 7832 52.680 43.370 17.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25073 ATOM 25069 HW2 SOL 7832 53.120 41.800 17.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25074 ATOM 25070 OW SOL 7833 54.150 49.010 5.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25075 ATOM 25071 HW1 SOL 7833 53.750 48.590 4.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25076 ATOM 25072 HW2 SOL 7833 55.050 49.380 5.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25077 ATOM 25073 OW SOL 7834 42.190 37.300 8.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25078 ATOM 25074 HW1 SOL 7834 42.030 37.670 9.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25079 ATOM 25075 HW2 SOL 7834 42.510 38.030 8.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25080 ATOM 25076 OW SOL 7835 48.320 53.130 4.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25081 ATOM 25077 HW1 SOL 7835 47.470 53.560 3.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25082 ATOM 25078 HW2 SOL 7835 48.530 53.480 4.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25083 ATOM 25079 OW SOL 7836 40.050 55.610 8.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25084 ATOM 25080 HW1 SOL 7836 40.610 54.820 7.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25085 ATOM 25081 HW2 SOL 7836 40.060 56.270 7.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25086 ATOM 25082 OW SOL 7837 55.680 47.870 9.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25087 ATOM 25083 HW1 SOL 7837 56.090 47.210 8.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25088 ATOM 25084 HW2 SOL 7837 54.800 47.520 9.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25089 ATOM 25085 OW SOL 7838 50.570 50.980 15.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25090 ATOM 25086 HW1 SOL 7838 51.520 51.050 15.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25091 ATOM 25087 HW2 SOL 7838 49.990 51.570 15.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25092 ATOM 25088 OW SOL 7839 40.020 44.940 4.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25093 ATOM 25089 HW1 SOL 7839 40.970 45.240 4.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25094 ATOM 25090 HW2 SOL 7839 39.960 44.030 4.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25095 ATOM 25091 OW SOL 7840 52.470 44.430 6.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25096 ATOM 25092 HW1 SOL 7840 52.510 44.060 7.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25097 ATOM 25093 HW2 SOL 7840 53.020 45.270 6.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25098 ATOM 25094 OW SOL 7841 42.290 48.470 17.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25099 ATOM 25095 HW1 SOL 7841 42.020 48.170 16.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25100 ATOM 25096 HW2 SOL 7841 41.520 48.380 17.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25101 ATOM 25097 OW SOL 7842 47.550 54.350 1.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25102 ATOM 25098 HW1 SOL 7842 47.030 54.350 2.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25103 ATOM 25099 HW2 SOL 7842 48.290 53.680 1.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25104 ATOM 25100 OW SOL 7843 39.040 36.970 15.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25105 ATOM 25101 HW1 SOL 7843 38.980 36.300 14.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25106 ATOM 25102 HW2 SOL 7843 38.300 36.810 16.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25107 ATOM 25103 OW SOL 7844 52.980 48.410 0.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25108 ATOM 25104 HW1 SOL 7844 53.180 48.280 1.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25109 ATOM 25105 HW2 SOL 7844 51.990 48.420 0.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25110 ATOM 25106 OW SOL 7845 41.840 53.750 4.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25111 ATOM 25107 HW1 SOL 7845 42.020 53.650 5.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25112 ATOM 25108 HW2 SOL 7845 41.620 54.710 4.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25113 ATOM 25109 OW SOL 7846 51.950 37.420 2.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25114 ATOM 25110 HW1 SOL 7846 51.820 36.850 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25115 ATOM 25111 HW2 SOL 7846 52.770 37.120 3.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25116 ATOM 25112 OW SOL 7847 41.060 56.270 10.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25117 ATOM 25113 HW1 SOL 7847 41.020 55.310 10.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25118 ATOM 25114 HW2 SOL 7847 40.790 56.340 9.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25119 ATOM 25115 OW SOL 7848 46.270 53.860 8.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25120 ATOM 25116 HW1 SOL 7848 45.930 53.020 9.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25121 ATOM 25117 HW2 SOL 7848 45.690 54.100 7.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25122 ATOM 25118 OW SOL 7849 43.150 42.170 6.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25123 ATOM 25119 HW1 SOL 7849 43.080 41.190 6.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25124 ATOM 25120 HW2 SOL 7849 42.330 42.450 7.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25125 ATOM 25121 OW SOL 7850 51.070 38.970 16.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25126 ATOM 25122 HW1 SOL 7850 50.750 38.090 17.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25127 ATOM 25123 HW2 SOL 7850 51.010 38.960 15.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25128 ATOM 25124 OW SOL 7851 42.520 36.790 1.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25129 ATOM 25125 HW1 SOL 7851 42.530 35.980 0.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25130 ATOM 25126 HW2 SOL 7851 42.110 36.550 2.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25131 ATOM 25127 OW SOL 7852 46.290 35.710 18.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25132 ATOM 25128 HW1 SOL 7852 46.890 35.930 17.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25133 ATOM 25129 HW2 SOL 7852 46.310 36.470 18.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25134 ATOM 25130 OW SOL 7853 45.040 51.990 10.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25135 ATOM 25131 HW1 SOL 7853 44.210 51.440 10.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25136 ATOM 25132 HW2 SOL 7853 45.770 51.560 10.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25137 ATOM 25133 OW SOL 7854 49.800 42.510 13.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25138 ATOM 25134 HW1 SOL 7854 49.720 42.240 14.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25139 ATOM 25135 HW2 SOL 7854 50.380 43.320 13.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25140 ATOM 25136 OW SOL 7855 44.340 48.110 7.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25141 ATOM 25137 HW1 SOL 7855 44.890 47.450 6.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25142 ATOM 25138 HW2 SOL 7855 43.410 48.100 6.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25143 ATOM 25139 OW SOL 7856 46.000 42.090 7.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25144 ATOM 25140 HW1 SOL 7856 45.190 42.530 7.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25145 ATOM 25141 HW2 SOL 7856 46.190 41.260 7.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25146 ATOM 25142 OW SOL 7857 42.300 36.330 5.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25147 ATOM 25143 HW1 SOL 7857 41.420 36.670 6.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25148 ATOM 25144 HW2 SOL 7857 42.800 35.900 6.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25149 ATOM 25145 OW SOL 7858 50.280 48.490 0.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25150 ATOM 25146 HW1 SOL 7858 49.990 47.640 0.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25151 ATOM 25147 HW2 SOL 7858 49.540 49.160 0.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25152 ATOM 25148 OW SOL 7859 39.250 35.920 1.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25153 ATOM 25149 HW1 SOL 7859 39.030 36.890 1.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25154 ATOM 25150 HW2 SOL 7859 39.990 35.790 1.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25155 ATOM 25151 OW SOL 7860 45.420 39.580 3.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25156 ATOM 25152 HW1 SOL 7860 45.440 39.240 2.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25157 ATOM 25153 HW2 SOL 7860 46.280 39.350 4.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25158 ATOM 25154 OW SOL 7861 47.460 44.100 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25159 ATOM 25155 HW1 SOL 7861 46.760 43.380 14.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25160 ATOM 25156 HW2 SOL 7861 48.350 43.690 13.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25161 ATOM 25157 OW SOL 7862 50.270 54.240 8.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25162 ATOM 25158 HW1 SOL 7862 51.230 54.230 8.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25163 ATOM 25159 HW2 SOL 7862 50.210 54.660 9.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25164 ATOM 25160 OW SOL 7863 41.670 48.270 6.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25165 ATOM 25161 HW1 SOL 7863 41.260 48.530 7.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25166 ATOM 25162 HW2 SOL 7863 41.000 47.770 6.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25167 ATOM 25163 OW SOL 7864 51.070 55.500 4.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25168 ATOM 25164 HW1 SOL 7864 51.230 56.430 5.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25169 ATOM 25165 HW2 SOL 7864 50.260 55.120 5.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25170 ATOM 25166 OW SOL 7865 47.150 42.100 0.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25171 ATOM 25167 HW1 SOL 7865 46.230 42.440 0.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25172 ATOM 25168 HW2 SOL 7865 47.730 42.180 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25173 ATOM 25169 OW SOL 7866 38.830 42.280 13.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25174 ATOM 25170 HW1 SOL 7866 39.690 42.220 13.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25175 ATOM 25171 HW2 SOL 7866 38.920 42.950 14.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25176 ATOM 25172 OW SOL 7867 42.870 38.310 11.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25177 ATOM 25173 HW1 SOL 7867 43.870 38.270 11.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25178 ATOM 25174 HW2 SOL 7867 42.460 37.820 12.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25179 ATOM 25175 OW SOL 7868 45.050 42.210 3.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25180 ATOM 25176 HW1 SOL 7868 44.160 42.360 2.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25181 ATOM 25177 HW2 SOL 7868 45.240 41.220 3.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25182 ATOM 25178 OW SOL 7869 47.880 35.740 6.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25183 ATOM 25179 HW1 SOL 7869 47.190 35.230 6.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25184 ATOM 25180 HW2 SOL 7869 47.810 35.520 7.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25185 ATOM 25181 OW SOL 7870 52.150 48.360 7.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25186 ATOM 25182 HW1 SOL 7870 51.320 48.790 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25187 ATOM 25183 HW2 SOL 7870 52.880 48.450 6.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25188 ATOM 25184 OW SOL 7871 52.920 42.750 8.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25189 ATOM 25185 HW1 SOL 7871 52.240 42.010 8.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25190 ATOM 25186 HW2 SOL 7871 53.340 42.800 9.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25191 ATOM 25187 OW SOL 7872 55.710 43.100 4.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25192 ATOM 25188 HW1 SOL 7872 55.950 43.250 5.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25193 ATOM 25189 HW2 SOL 7872 54.760 42.790 4.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25194 ATOM 25190 OW SOL 7873 42.210 48.530 2.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25195 ATOM 25191 HW1 SOL 7873 41.230 48.370 2.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25196 ATOM 25192 HW2 SOL 7873 42.700 47.770 1.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25197 ATOM 25193 OW SOL 7874 56.960 48.930 6.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25198 ATOM 25194 HW1 SOL 7874 57.170 47.960 6.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25199 ATOM 25195 HW2 SOL 7874 56.160 49.170 6.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25200 ATOM 25196 OW SOL 7875 50.920 42.170 71.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25201 ATOM 25197 HW1 SOL 7875 50.530 42.880 72.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25202 ATOM 25198 HW2 SOL 7875 50.220 41.830 71.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25203 ATOM 25199 OW SOL 7876 42.930 40.830 1.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25204 ATOM 25200 HW1 SOL 7876 43.430 39.970 1.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25205 ATOM 25201 HW2 SOL 7876 43.510 41.550 0.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25206 ATOM 25202 OW SOL 7877 52.700 48.420 14.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25207 ATOM 25203 HW1 SOL 7877 52.110 48.840 15.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25208 ATOM 25204 HW2 SOL 7877 52.340 48.630 13.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25209 ATOM 25205 OW SOL 7878 46.530 50.940 12.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25210 ATOM 25206 HW1 SOL 7878 46.270 51.800 12.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25211 ATOM 25207 HW2 SOL 7878 46.370 50.180 12.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25212 ATOM 25208 OW SOL 7879 52.230 53.190 16.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25213 ATOM 25209 HW1 SOL 7879 52.010 53.880 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25214 ATOM 25210 HW2 SOL 7879 53.210 53.000 16.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25215 ATOM 25211 OW SOL 7880 48.640 49.790 10.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25216 ATOM 25212 HW1 SOL 7880 47.990 50.350 11.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25217 ATOM 25213 HW2 SOL 7880 48.990 50.320 10.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25218 ATOM 25214 OW SOL 7881 53.000 46.710 9.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25219 ATOM 25215 HW1 SOL 7881 53.050 47.410 10.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25220 ATOM 25216 HW2 SOL 7881 52.530 47.080 8.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25221 ATOM 25217 OW SOL 7882 45.410 36.850 11.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25222 ATOM 25218 HW1 SOL 7882 45.590 35.970 11.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25223 ATOM 25219 HW2 SOL 7882 46.240 37.180 12.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25224 ATOM 25220 OW SOL 7883 45.160 46.470 16.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25225 ATOM 25221 HW1 SOL 7883 44.910 47.420 15.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25226 ATOM 25222 HW2 SOL 7883 46.000 46.240 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25227 ATOM 25223 OW SOL 7884 47.930 47.340 4.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25228 ATOM 25224 HW1 SOL 7884 47.600 46.770 5.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25229 ATOM 25225 HW2 SOL 7884 47.230 47.400 3.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25230 ATOM 25226 OW SOL 7885 43.060 43.900 12.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25231 ATOM 25227 HW1 SOL 7885 43.390 44.140 13.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25232 ATOM 25228 HW2 SOL 7885 42.240 43.340 12.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25233 ATOM 25229 OW SOL 7886 48.940 40.420 12.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25234 ATOM 25230 HW1 SOL 7886 49.260 41.250 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25235 ATOM 25231 HW2 SOL 7886 48.610 40.650 11.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25236 ATOM 25232 OW SOL 7887 39.380 52.430 13.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25237 ATOM 25233 HW1 SOL 7887 38.630 53.080 13.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25238 ATOM 25234 HW2 SOL 7887 39.940 52.710 12.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25239 ATOM 25235 OW SOL 7888 39.510 47.430 5.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25240 ATOM 25236 HW1 SOL 7888 39.560 47.820 4.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25241 ATOM 25237 HW2 SOL 7888 39.780 46.470 5.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25242 ATOM 25238 OW SOL 7889 42.810 39.400 7.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25243 ATOM 25239 HW1 SOL 7889 42.480 39.490 6.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25244 ATOM 25240 HW2 SOL 7889 43.790 39.190 7.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25245 ATOM 25241 OW SOL 7890 50.170 51.140 4.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25246 ATOM 25242 HW1 SOL 7890 51.010 51.550 4.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25247 ATOM 25243 HW2 SOL 7890 49.380 51.620 4.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25248 ATOM 25244 OW SOL 7891 51.480 50.240 11.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25249 ATOM 25245 HW1 SOL 7891 51.360 51.160 11.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25250 ATOM 25246 HW2 SOL 7891 50.630 49.730 11.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25251 ATOM 25247 OW SOL 7892 53.060 42.280 4.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25252 ATOM 25248 HW1 SOL 7892 52.870 41.570 5.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25253 ATOM 25249 HW2 SOL 7892 52.760 43.160 4.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25254 ATOM 25250 OW SOL 7893 40.550 53.390 11.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25255 ATOM 25251 HW1 SOL 7893 39.920 53.110 10.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25256 ATOM 25252 HW2 SOL 7893 41.480 53.420 10.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25257 ATOM 25253 OW SOL 7894 41.700 43.120 18.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25258 ATOM 25254 HW1 SOL 7894 42.550 43.340 17.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25259 ATOM 25255 HW2 SOL 7894 41.210 42.410 17.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25260 ATOM 25256 OW SOL 7895 52.710 44.920 16.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25261 ATOM 25257 HW1 SOL 7895 51.760 45.250 16.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25262 ATOM 25258 HW2 SOL 7895 53.050 45.110 15.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25263 ATOM 25259 OW SOL 7896 48.530 36.480 16.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25264 ATOM 25260 HW1 SOL 7896 49.190 36.440 17.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25265 ATOM 25261 HW2 SOL 7896 48.950 36.120 15.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25266 ATOM 25262 OW SOL 7897 42.090 36.970 16.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25267 ATOM 25263 HW1 SOL 7897 41.350 36.490 16.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25268 ATOM 25264 HW2 SOL 7897 41.770 37.860 16.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25269 ATOM 25265 OW SOL 7898 42.300 45.180 10.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25270 ATOM 25266 HW1 SOL 7898 42.520 46.150 10.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25271 ATOM 25267 HW2 SOL 7898 42.570 44.880 11.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25272 ATOM 25268 OW SOL 7899 49.020 47.010 8.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25273 ATOM 25269 HW1 SOL 7899 49.670 46.460 7.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25274 ATOM 25270 HW2 SOL 7899 49.070 47.960 7.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25275 ATOM 25271 OW SOL 7900 48.880 42.130 2.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25276 ATOM 25272 HW1 SOL 7900 48.380 42.530 3.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25277 ATOM 25273 HW2 SOL 7900 49.790 42.540 2.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25278 ATOM 25274 OW SOL 7901 40.450 38.370 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25279 ATOM 25275 HW1 SOL 7901 40.450 39.020 13.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25280 ATOM 25276 HW2 SOL 7901 40.120 37.480 13.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25281 ATOM 25277 OW SOL 7902 39.420 49.620 13.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25282 ATOM 25278 HW1 SOL 7902 39.660 49.390 14.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25283 ATOM 25279 HW2 SOL 7902 39.340 50.610 12.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25284 ATOM 25280 OW SOL 7903 44.200 43.320 9.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25285 ATOM 25281 HW1 SOL 7903 43.340 43.780 10.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25286 ATOM 25282 HW2 SOL 7903 44.960 43.960 10.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25287 ATOM 25283 OW SOL 7904 55.200 45.040 18.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25288 ATOM 25284 HW1 SOL 7904 55.890 44.590 17.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25289 ATOM 25285 HW2 SOL 7904 54.290 44.890 17.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25290 ATOM 25286 OW SOL 7905 39.580 37.190 6.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25291 ATOM 25287 HW1 SOL 7905 39.310 38.120 6.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25292 ATOM 25288 HW2 SOL 7905 40.050 36.770 7.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25293 ATOM 25289 OW SOL 7906 51.970 40.380 2.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25294 ATOM 25290 HW1 SOL 7906 51.960 39.400 2.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25295 ATOM 25291 HW2 SOL 7906 52.260 40.870 2.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25296 ATOM 25292 OW SOL 7907 48.730 42.370 9.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25297 ATOM 25293 HW1 SOL 7907 48.090 41.680 9.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25298 ATOM 25294 HW2 SOL 7907 48.270 42.980 8.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25299 ATOM 25295 OW SOL 7908 47.890 52.090 15.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25300 ATOM 25296 HW1 SOL 7908 47.620 52.760 15.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25301 ATOM 25297 HW2 SOL 7908 47.580 51.180 15.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25302 ATOM 25298 OW SOL 7909 55.080 52.640 15.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25303 ATOM 25299 HW1 SOL 7909 55.200 52.650 14.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25304 ATOM 25300 HW2 SOL 7909 55.950 52.380 15.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25305 ATOM 25301 OW SOL 7910 42.870 46.940 19.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25306 ATOM 25302 HW1 SOL 7910 43.680 47.380 20.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25307 ATOM 25303 HW2 SOL 7910 42.610 47.390 18.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25308 ATOM 25304 OW SOL 7911 52.830 44.030 71.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25309 ATOM 25305 HW1 SOL 7911 52.930 44.310 70.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25310 ATOM 25306 HW2 SOL 7911 52.240 43.220 71.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25311 ATOM 25307 OW SOL 7912 49.580 44.860 72.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25312 ATOM 25308 HW1 SOL 7912 48.620 45.100 71.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25313 ATOM 25309 HW2 SOL 7912 50.140 45.270 71.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25314 ATOM 25310 OW SOL 7913 49.330 51.430 8.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25315 ATOM 25311 HW1 SOL 7913 49.620 50.980 7.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25316 ATOM 25312 HW2 SOL 7913 49.690 52.370 8.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25317 ATOM 25313 OW SOL 7914 41.310 43.310 8.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25318 ATOM 25314 HW1 SOL 7914 41.650 44.140 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25319 ATOM 25315 HW2 SOL 7914 41.290 42.550 9.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25320 ATOM 25316 OW SOL 7915 41.340 40.770 9.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25321 ATOM 25317 HW1 SOL 7915 40.760 39.980 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25322 ATOM 25318 HW2 SOL 7915 41.850 40.600 8.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25323 ATOM 25319 OW SOL 7916 46.640 40.950 16.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25324 ATOM 25320 HW1 SOL 7916 46.590 40.570 17.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25325 ATOM 25321 HW2 SOL 7916 47.510 41.440 16.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25326 ATOM 25322 OW SOL 7917 47.620 37.830 12.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25327 ATOM 25323 HW1 SOL 7917 47.470 38.020 13.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25328 ATOM 25324 HW2 SOL 7917 48.010 38.640 12.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25329 ATOM 25325 OW SOL 7918 37.960 46.050 0.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25330 ATOM 25326 HW1 SOL 7918 37.150 46.500 0.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25331 ATOM 25327 HW2 SOL 7918 37.770 45.710 1.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25332 ATOM 25328 OW SOL 7919 37.850 54.580 9.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25333 ATOM 25329 HW1 SOL 7919 37.920 53.590 9.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25334 ATOM 25330 HW2 SOL 7919 38.690 54.950 8.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25335 ATOM 25331 OW SOL 7920 41.790 53.300 7.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25336 ATOM 25332 HW1 SOL 7920 42.420 53.730 8.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25337 ATOM 25333 HW2 SOL 7920 42.110 52.370 7.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25338 ATOM 25334 OW SOL 7921 46.290 44.780 11.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25339 ATOM 25335 HW1 SOL 7921 46.920 44.320 11.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25340 ATOM 25336 HW2 SOL 7921 46.020 45.660 11.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25341 ATOM 25337 OW SOL 7922 35.850 42.720 10.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25342 ATOM 25338 HW1 SOL 7922 36.390 42.370 9.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25343 ATOM 25339 HW2 SOL 7922 35.670 41.970 11.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25344 ATOM 25340 OW SOL 7923 39.650 41.510 17.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25345 ATOM 25341 HW1 SOL 7923 38.970 40.820 17.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25346 ATOM 25342 HW2 SOL 7923 39.280 42.100 16.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25347 ATOM 25343 OW SOL 7924 50.140 45.920 15.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25348 ATOM 25344 HW1 SOL 7924 50.300 46.860 16.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25349 ATOM 25345 HW2 SOL 7924 50.010 45.890 14.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25350 ATOM 25346 OW SOL 7925 43.310 44.450 2.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25351 ATOM 25347 HW1 SOL 7925 43.150 45.300 1.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25352 ATOM 25348 HW2 SOL 7925 42.990 44.540 3.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25353 ATOM 25349 OW SOL 7926 53.900 42.760 10.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25354 ATOM 25350 HW1 SOL 7926 53.950 41.760 10.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25355 ATOM 25351 HW2 SOL 7926 54.820 43.140 10.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25356 ATOM 25352 OW SOL 7927 40.030 52.060 18.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25357 ATOM 25353 HW1 SOL 7927 39.050 51.970 19.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25358 ATOM 25354 HW2 SOL 7927 40.450 51.150 18.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25359 ATOM 25355 OW SOL 7928 44.490 40.760 10.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25360 ATOM 25356 HW1 SOL 7928 43.580 40.350 10.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25361 ATOM 25357 HW2 SOL 7928 44.410 41.700 10.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25362 ATOM 25358 OW SOL 7929 47.220 53.320 13.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25363 ATOM 25359 HW1 SOL 7929 46.320 53.170 13.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25364 ATOM 25360 HW2 SOL 7929 47.210 54.160 12.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25365 ATOM 25361 OW SOL 7930 40.630 40.860 2.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25366 ATOM 25362 HW1 SOL 7930 41.570 40.850 2.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25367 ATOM 25363 HW2 SOL 7930 40.110 41.580 2.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25368 ATOM 25364 OW SOL 7931 40.520 47.310 15.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25369 ATOM 25365 HW1 SOL 7931 40.310 46.570 16.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25370 ATOM 25366 HW2 SOL 7931 40.540 46.940 14.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25371 ATOM 25367 OW SOL 7932 49.280 47.110 10.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25372 ATOM 25368 HW1 SOL 7932 49.200 46.830 9.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25373 ATOM 25369 HW2 SOL 7932 49.060 48.080 10.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25374 ATOM 25370 OW SOL 7933 49.180 46.230 1.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25375 ATOM 25371 HW1 SOL 7933 48.280 46.020 2.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25376 ATOM 25372 HW2 SOL 7933 49.370 45.600 0.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25377 ATOM 25373 OW SOL 7934 55.150 52.980 10.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25378 ATOM 25374 HW1 SOL 7934 55.850 53.620 10.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25379 ATOM 25375 HW2 SOL 7934 55.290 52.090 10.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25380 ATOM 25376 OW SOL 7935 50.480 54.490 11.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25381 ATOM 25377 HW1 SOL 7935 51.460 54.340 11.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25382 ATOM 25378 HW2 SOL 7935 50.090 53.760 12.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25383 ATOM 25379 OW SOL 7936 39.530 47.590 11.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25384 ATOM 25380 HW1 SOL 7936 39.280 48.380 11.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25385 ATOM 25381 HW2 SOL 7936 38.800 47.420 10.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25386 ATOM 25382 OW SOL 7937 44.310 54.250 18.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25387 ATOM 25383 HW1 SOL 7937 43.490 54.620 18.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25388 ATOM 25384 HW2 SOL 7937 45.120 54.590 18.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25389 ATOM 25385 OW SOL 7938 48.900 37.260 0.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25390 ATOM 25386 HW1 SOL 7938 48.200 36.710 -0.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25391 ATOM 25387 HW2 SOL 7938 48.510 38.120 0.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25392 ATOM 25388 OW SOL 7939 54.140 37.020 3.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25393 ATOM 25389 HW1 SOL 7939 54.980 36.950 3.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25394 ATOM 25390 HW2 SOL 7939 54.220 36.480 4.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25395 ATOM 25391 OW SOL 7940 52.350 52.930 4.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25396 ATOM 25392 HW1 SOL 7940 52.820 53.200 3.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25397 ATOM 25393 HW2 SOL 7940 51.760 53.690 4.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25398 ATOM 25394 OW SOL 7941 38.950 55.710 18.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25399 ATOM 25395 HW1 SOL 7941 39.320 56.550 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25400 ATOM 25396 HW2 SOL 7941 38.830 55.030 19.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25401 ATOM 25397 OW SOL 7942 49.840 45.150 6.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25402 ATOM 25398 HW1 SOL 7942 50.790 44.890 6.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25403 ATOM 25399 HW2 SOL 7942 49.770 45.580 5.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25404 ATOM 25400 OW SOL 7943 45.110 52.170 14.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25405 ATOM 25401 HW1 SOL 7943 45.060 51.580 15.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25406 ATOM 25402 HW2 SOL 7943 44.230 52.180 14.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25407 ATOM 25403 OW SOL 7944 42.260 51.020 3.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25408 ATOM 25404 HW1 SOL 7944 41.460 50.890 3.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25409 ATOM 25405 HW2 SOL 7944 42.380 50.210 2.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25410 ATOM 25406 OW SOL 7945 52.720 54.360 13.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25411 ATOM 25407 HW1 SOL 7945 52.840 54.530 12.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25412 ATOM 25408 HW2 SOL 7945 53.510 54.720 14.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25413 ATOM 25409 OW SOL 7946 53.720 38.470 8.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25414 ATOM 25410 HW1 SOL 7946 54.670 38.380 8.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25415 ATOM 25411 HW2 SOL 7946 53.400 37.610 7.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25416 ATOM 25412 OW SOL 7947 39.210 39.610 7.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25417 ATOM 25413 HW1 SOL 7947 38.400 40.180 7.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25418 ATOM 25414 HW2 SOL 7947 39.450 39.600 8.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25419 ATOM 25415 OW SOL 7948 49.590 52.390 0.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25420 ATOM 25416 HW1 SOL 7948 49.170 51.790 1.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25421 ATOM 25417 HW2 SOL 7948 49.100 52.290 -0.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25422 ATOM 25418 OW SOL 7949 45.300 47.130 12.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25423 ATOM 25419 HW1 SOL 7949 44.930 47.410 11.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25424 ATOM 25420 HW2 SOL 7949 44.610 47.300 12.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25425 ATOM 25421 OW SOL 7950 45.970 46.890 2.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25426 ATOM 25422 HW1 SOL 7950 46.100 47.120 1.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25427 ATOM 25423 HW2 SOL 7950 46.120 45.910 2.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25428 ATOM 25424 OW SOL 7951 51.440 54.540 72.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25429 ATOM 25425 HW1 SOL 7951 51.070 53.680 72.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25430 ATOM 25426 HW2 SOL 7951 50.690 55.130 71.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25431 ATOM 25427 OW SOL 7952 42.240 50.020 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25432 ATOM 25428 HW1 SOL 7952 42.530 50.980 12.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25433 ATOM 25429 HW2 SOL 7952 41.260 49.960 12.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25434 ATOM 25430 OW SOL 7953 53.640 48.710 11.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25435 ATOM 25431 HW1 SOL 7953 54.420 49.180 11.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25436 ATOM 25432 HW2 SOL 7953 52.870 49.340 11.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25437 ATOM 25433 OW SOL 7954 49.290 49.270 6.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25438 ATOM 25434 HW1 SOL 7954 48.750 48.620 5.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25439 ATOM 25435 HW2 SOL 7954 49.700 49.940 5.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25440 ATOM 25436 OW SOL 7955 45.340 38.860 6.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25441 ATOM 25437 HW1 SOL 7955 45.860 39.380 5.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25442 ATOM 25438 HW2 SOL 7955 45.970 38.350 7.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25443 ATOM 25439 OW SOL 7956 44.510 52.420 4.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25444 ATOM 25440 HW1 SOL 7956 44.720 51.670 5.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25445 ATOM 25441 HW2 SOL 7956 43.690 52.200 4.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25446 ATOM 25442 OW SOL 7957 53.400 40.250 13.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25447 ATOM 25443 HW1 SOL 7957 54.160 40.860 14.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25448 ATOM 25444 HW2 SOL 7957 53.340 40.140 12.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25449 ATOM 25445 OW SOL 7958 39.660 47.760 2.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25450 ATOM 25446 HW1 SOL 7958 39.600 46.760 2.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25451 ATOM 25447 HW2 SOL 7958 39.170 48.080 1.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25452 ATOM 25448 OW SOL 7959 39.780 45.260 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25453 ATOM 25449 HW1 SOL 7959 39.150 45.100 18.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25454 ATOM 25450 HW2 SOL 7959 40.590 44.680 18.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25455 ATOM 25451 OW SOL 7960 44.570 37.770 13.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25456 ATOM 25452 HW1 SOL 7960 44.840 37.170 13.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25457 ATOM 25453 HW2 SOL 7960 45.380 38.020 14.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25458 ATOM 25454 OW SOL 7961 41.010 40.000 72.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25459 ATOM 25455 HW1 SOL 7961 40.320 40.680 72.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25460 ATOM 25456 HW2 SOL 7961 41.700 40.410 72.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25461 ATOM 25457 OW SOL 7962 50.310 45.660 13.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25462 ATOM 25458 HW1 SOL 7962 49.870 46.330 12.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25463 ATOM 25459 HW2 SOL 7962 51.100 45.260 12.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25464 ATOM 25460 OW SOL 7963 37.130 40.290 0.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25465 ATOM 25461 HW1 SOL 7963 36.480 39.910 0.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25466 ATOM 25462 HW2 SOL 7963 37.830 39.610 1.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25467 ATOM 25463 OW SOL 7964 48.190 50.350 2.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25468 ATOM 25464 HW1 SOL 7964 47.410 50.960 2.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25469 ATOM 25465 HW2 SOL 7964 48.400 49.830 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25470 ATOM 25466 OW SOL 7965 43.720 44.210 16.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25471 ATOM 25467 HW1 SOL 7965 44.120 45.120 16.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25472 ATOM 25468 HW2 SOL 7965 44.110 43.610 16.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25473 ATOM 25469 OW SOL 7966 53.070 54.580 11.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25474 ATOM 25470 HW1 SOL 7966 53.210 55.210 10.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25475 ATOM 25471 HW2 SOL 7966 53.660 53.780 11.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25476 ATOM 25472 OW SOL 7967 46.800 38.540 15.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25477 ATOM 25473 HW1 SOL 7967 47.460 37.970 15.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25478 ATOM 25474 HW2 SOL 7967 46.830 39.470 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25479 ATOM 25475 OW SOL 7968 50.430 48.450 16.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25480 ATOM 25476 HW1 SOL 7968 50.830 48.730 17.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25481 ATOM 25477 HW2 SOL 7968 50.300 49.250 16.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25482 ATOM 25478 OW SOL 7969 40.730 53.830 16.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25483 ATOM 25479 HW1 SOL 7969 39.760 54.060 16.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25484 ATOM 25480 HW2 SOL 7969 40.850 53.110 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25485 ATOM 25481 OW SOL 7970 52.250 44.920 11.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25486 ATOM 25482 HW1 SOL 7970 52.800 44.100 11.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25487 ATOM 25483 HW2 SOL 7970 52.370 45.560 10.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25488 ATOM 25484 OW SOL 7971 47.930 38.890 4.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25489 ATOM 25485 HW1 SOL 7971 48.450 38.130 4.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25490 ATOM 25486 HW2 SOL 7971 48.540 39.460 5.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25491 ATOM 25487 OW SOL 7972 44.450 43.700 5.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25492 ATOM 25488 HW1 SOL 7972 44.850 43.170 4.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25493 ATOM 25489 HW2 SOL 7972 43.980 43.090 5.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25494 ATOM 25490 OW SOL 7973 53.680 40.350 16.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25495 ATOM 25491 HW1 SOL 7973 53.230 40.510 15.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25496 ATOM 25492 HW2 SOL 7973 53.060 39.840 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25497 ATOM 25493 OW SOL 7974 53.800 45.840 13.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25498 ATOM 25494 HW1 SOL 7974 53.550 46.790 13.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25499 ATOM 25495 HW2 SOL 7974 53.250 45.500 12.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25500 ATOM 25496 OW SOL 7975 45.870 51.680 2.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25501 ATOM 25497 HW1 SOL 7975 45.390 51.990 3.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25502 ATOM 25498 HW2 SOL 7975 45.440 52.080 1.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25503 ATOM 25499 OW SOL 7976 43.090 53.900 10.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25504 ATOM 25500 HW1 SOL 7976 43.240 54.850 9.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25505 ATOM 25501 HW2 SOL 7976 43.950 53.400 10.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25506 ATOM 25502 OW SOL 7977 46.890 45.230 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25507 ATOM 25503 HW1 SOL 7977 47.760 45.720 8.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25508 ATOM 25504 HW2 SOL 7977 46.680 45.040 9.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25509 ATOM 25505 OW SOL 7978 45.680 47.200 72.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25510 ATOM 25506 HW1 SOL 7978 45.890 48.160 72.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25511 ATOM 25507 HW2 SOL 7978 46.170 46.620 71.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25512 ATOM 25508 OW SOL 7979 56.980 52.120 7.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25513 ATOM 25509 HW1 SOL 7979 56.840 51.500 7.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25514 ATOM 25510 HW2 SOL 7979 56.970 53.070 7.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25515 ATOM 25511 OW SOL 7980 40.330 48.940 19.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25516 ATOM 25512 HW1 SOL 7980 40.580 48.390 20.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25517 ATOM 25513 HW2 SOL 7980 39.400 48.690 19.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25518 ATOM 25514 OW SOL 7981 37.610 47.250 7.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25519 ATOM 25515 HW1 SOL 7981 37.850 46.890 7.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25520 ATOM 25516 HW2 SOL 7981 38.440 47.350 6.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25521 ATOM 25517 OW SOL 7982 44.220 50.330 16.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25522 ATOM 25518 HW1 SOL 7982 43.390 49.820 16.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25523 ATOM 25519 HW2 SOL 7982 45.010 49.860 16.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25524 ATOM 25520 OW SOL 7983 53.580 39.900 10.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25525 ATOM 25521 HW1 SOL 7983 54.470 39.570 11.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25526 ATOM 25522 HW2 SOL 7983 53.350 39.480 9.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25527 ATOM 25523 OW SOL 7984 41.090 40.170 5.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25528 ATOM 25524 HW1 SOL 7984 40.780 40.090 4.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25529 ATOM 25525 HW2 SOL 7984 40.320 40.010 5.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25530 ATOM 25526 OW SOL 7985 55.410 50.550 9.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25531 ATOM 25527 HW1 SOL 7985 54.410 50.600 9.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25532 ATOM 25528 HW2 SOL 7985 55.700 49.590 9.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25533 ATOM 25529 OW SOL 7986 41.060 41.640 12.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25534 ATOM 25530 HW1 SOL 7986 41.780 41.330 13.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25535 ATOM 25531 HW2 SOL 7986 41.210 41.250 11.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25536 ATOM 25532 OW SOL 7987 44.880 54.660 6.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25537 ATOM 25533 HW1 SOL 7987 44.590 55.490 6.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25538 ATOM 25534 HW2 SOL 7987 44.730 53.870 5.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25539 ATOM 25535 OW SOL 7988 50.040 38.640 9.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25540 ATOM 25536 HW1 SOL 7988 50.410 37.720 9.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25541 ATOM 25537 HW2 SOL 7988 49.780 38.810 10.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25542 ATOM 25538 OW SOL 7989 47.390 38.180 8.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25543 ATOM 25539 HW1 SOL 7989 48.150 38.160 7.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25544 ATOM 25540 HW2 SOL 7989 47.680 37.720 9.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25545 ATOM 25541 OW SOL 7990 45.450 50.690 6.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25546 ATOM 25542 HW1 SOL 7990 45.270 49.710 6.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25547 ATOM 25543 HW2 SOL 7990 46.370 50.870 6.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25548 ATOM 25544 OW SOL 7991 43.010 52.700 12.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25549 ATOM 25545 HW1 SOL 7991 42.580 53.490 13.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25550 ATOM 25546 HW2 SOL 7991 43.070 52.860 11.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25551 ATOM 25547 OW SOL 7992 49.560 37.180 3.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25552 ATOM 25548 HW1 SOL 7992 50.320 37.490 3.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25553 ATOM 25549 HW2 SOL 7992 49.060 36.450 3.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25554 ATOM 25550 OW SOL 7993 49.570 40.720 5.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25555 ATOM 25551 HW1 SOL 7993 48.970 41.460 5.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25556 ATOM 25552 HW2 SOL 7993 49.920 40.960 6.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25557 ATOM 25553 OW SOL 7994 52.830 36.260 7.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25558 ATOM 25554 HW1 SOL 7994 52.000 36.570 6.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25559 ATOM 25555 HW2 SOL 7994 53.130 35.390 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25560 ATOM 25556 OW SOL 7995 36.520 44.370 2.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25561 ATOM 25557 HW1 SOL 7995 36.890 43.960 3.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25562 ATOM 25558 HW2 SOL 7995 36.350 43.650 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25563 ATOM 25559 OW SOL 7996 46.050 54.330 3.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25564 ATOM 25560 HW1 SOL 7996 45.620 53.590 3.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25565 ATOM 25561 HW2 SOL 7996 45.920 55.200 3.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25566 ATOM 25562 OW SOL 7997 39.780 41.860 20.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25567 ATOM 25563 HW1 SOL 7997 38.830 41.990 20.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25568 ATOM 25564 HW2 SOL 7997 39.950 42.350 19.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25569 ATOM 25565 OW SOL 7998 51.890 52.890 24.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25570 ATOM 25566 HW1 SOL 7998 51.440 52.780 25.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25571 ATOM 25567 HW2 SOL 7998 51.290 53.420 24.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25572 ATOM 25568 OW SOL 7999 48.070 44.330 25.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25573 ATOM 25569 HW1 SOL 7999 48.430 45.150 25.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25574 ATOM 25570 HW2 SOL 7999 47.210 44.560 26.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25575 ATOM 25571 OW SOL 8000 53.280 41.610 20.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25576 ATOM 25572 HW1 SOL 8000 52.920 42.100 19.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25577 ATOM 25573 HW2 SOL 8000 52.820 40.730 20.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25578 ATOM 25574 OW SOL 8001 44.220 48.180 27.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25579 ATOM 25575 HW1 SOL 8001 43.280 47.950 26.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25580 ATOM 25576 HW2 SOL 8001 44.390 49.150 26.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25581 ATOM 25577 OW SOL 8002 44.860 46.560 36.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25582 ATOM 25578 HW1 SOL 8002 45.670 46.000 36.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25583 ATOM 25579 HW2 SOL 8002 44.930 47.030 35.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25584 ATOM 25580 OW SOL 8003 45.080 46.060 25.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25585 ATOM 25581 HW1 SOL 8003 45.320 46.200 24.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25586 ATOM 25582 HW2 SOL 8003 44.730 46.920 26.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25587 ATOM 25583 OW SOL 8004 51.310 51.760 32.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25588 ATOM 25584 HW1 SOL 8004 51.850 52.580 32.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25589 ATOM 25585 HW2 SOL 8004 51.110 51.750 33.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25590 ATOM 25586 OW SOL 8005 52.860 40.520 25.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25591 ATOM 25587 HW1 SOL 8005 52.130 40.900 24.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25592 ATOM 25588 HW2 SOL 8005 53.390 41.260 25.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25593 ATOM 25589 OW SOL 8006 38.380 53.490 23.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25594 ATOM 25590 HW1 SOL 8006 38.350 54.160 24.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25595 ATOM 25591 HW2 SOL 8006 38.290 53.960 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25596 ATOM 25592 OW SOL 8007 51.310 52.120 35.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25597 ATOM 25593 HW1 SOL 8007 51.760 53.000 34.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25598 ATOM 25594 HW2 SOL 8007 52.010 51.410 35.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25599 ATOM 25595 OW SOL 8008 37.570 50.810 23.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25600 ATOM 25596 HW1 SOL 8008 38.140 51.640 23.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25601 ATOM 25597 HW2 SOL 8008 36.690 50.980 23.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25602 ATOM 25598 OW SOL 8009 41.160 56.540 33.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25603 ATOM 25599 HW1 SOL 8009 40.720 56.610 34.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25604 ATOM 25600 HW2 SOL 8009 41.590 57.410 33.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25605 ATOM 25601 OW SOL 8010 45.300 47.310 21.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25606 ATOM 25602 HW1 SOL 8010 45.800 48.160 20.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25607 ATOM 25603 HW2 SOL 8010 45.570 46.660 20.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25608 ATOM 25604 OW SOL 8011 52.400 38.060 34.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25609 ATOM 25605 HW1 SOL 8011 51.900 38.390 33.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25610 ATOM 25606 HW2 SOL 8011 52.290 38.710 35.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25611 ATOM 25607 OW SOL 8012 55.670 54.670 20.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25612 ATOM 25608 HW1 SOL 8012 56.090 54.220 21.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25613 ATOM 25609 HW2 SOL 8012 55.910 55.640 20.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25614 ATOM 25610 OW SOL 8013 37.200 51.980 18.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25615 ATOM 25611 HW1 SOL 8013 36.920 51.050 18.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25616 ATOM 25612 HW2 SOL 8013 36.500 52.410 19.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25617 ATOM 25613 OW SOL 8014 53.470 45.530 23.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25618 ATOM 25614 HW1 SOL 8014 53.830 44.660 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25619 ATOM 25615 HW2 SOL 8014 53.800 46.270 22.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25620 ATOM 25616 OW SOL 8015 53.920 48.310 22.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25621 ATOM 25617 HW1 SOL 8015 54.920 48.270 22.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25622 ATOM 25618 HW2 SOL 8015 53.580 49.020 22.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25623 ATOM 25619 OW SOL 8016 47.770 48.010 35.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25624 ATOM 25620 HW1 SOL 8016 48.690 48.340 35.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25625 ATOM 25621 HW2 SOL 8016 47.400 47.520 35.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25626 ATOM 25622 OW SOL 8017 51.700 47.580 20.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25627 ATOM 25623 HW1 SOL 8017 50.910 47.000 20.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25628 ATOM 25624 HW2 SOL 8017 52.170 47.820 21.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25629 ATOM 25625 OW SOL 8018 48.220 55.440 34.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25630 ATOM 25626 HW1 SOL 8018 47.420 55.840 34.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25631 ATOM 25627 HW2 SOL 8018 48.290 54.470 34.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25632 ATOM 25628 OW SOL 8019 52.550 51.340 28.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25633 ATOM 25629 HW1 SOL 8019 51.630 51.460 28.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25634 ATOM 25630 HW2 SOL 8019 52.550 50.610 27.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25635 ATOM 25631 OW SOL 8020 53.850 55.350 23.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25636 ATOM 25632 HW1 SOL 8020 54.240 55.350 24.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25637 ATOM 25633 HW2 SOL 8020 54.280 54.630 23.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25638 ATOM 25634 OW SOL 8021 43.550 45.820 22.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25639 ATOM 25635 HW1 SOL 8021 44.240 46.270 21.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25640 ATOM 25636 HW2 SOL 8021 42.770 45.560 21.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25641 ATOM 25637 OW SOL 8022 50.900 41.670 28.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25642 ATOM 25638 HW1 SOL 8022 50.750 41.550 29.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25643 ATOM 25639 HW2 SOL 8022 51.870 41.810 27.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25644 ATOM 25640 OW SOL 8023 51.310 53.030 21.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25645 ATOM 25641 HW1 SOL 8023 52.240 52.680 21.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25646 ATOM 25642 HW2 SOL 8023 51.030 52.900 20.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25647 ATOM 25643 OW SOL 8024 50.740 43.030 33.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25648 ATOM 25644 HW1 SOL 8024 50.900 43.820 34.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25649 ATOM 25645 HW2 SOL 8024 51.220 42.230 34.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25650 ATOM 25646 OW SOL 8025 45.370 47.030 33.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25651 ATOM 25647 HW1 SOL 8025 46.340 47.260 33.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25652 ATOM 25648 HW2 SOL 8025 45.030 47.390 32.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25653 ATOM 25649 OW SOL 8026 48.680 43.740 22.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25654 ATOM 25650 HW1 SOL 8026 49.120 44.300 23.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25655 ATOM 25651 HW2 SOL 8026 47.700 43.670 22.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25656 ATOM 25652 OW SOL 8027 45.730 38.030 19.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25657 ATOM 25653 HW1 SOL 8027 45.860 39.020 19.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25658 ATOM 25654 HW2 SOL 8027 44.770 37.810 19.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25659 ATOM 25655 OW SOL 8028 54.310 43.080 37.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25660 ATOM 25656 HW1 SOL 8028 54.160 42.420 36.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25661 ATOM 25657 HW2 SOL 8028 54.260 44.010 37.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25662 ATOM 25658 OW SOL 8029 49.630 49.080 24.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25663 ATOM 25659 HW1 SOL 8029 49.420 49.750 24.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25664 ATOM 25660 HW2 SOL 8029 49.010 49.200 25.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25665 ATOM 25661 OW SOL 8030 45.790 50.200 24.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25666 ATOM 25662 HW1 SOL 8030 45.870 51.070 23.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25667 ATOM 25663 HW2 SOL 8030 45.420 50.370 25.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25668 ATOM 25664 OW SOL 8031 41.070 54.830 28.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25669 ATOM 25665 HW1 SOL 8031 41.830 55.060 27.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25670 ATOM 25666 HW2 SOL 8031 40.970 55.540 28.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25671 ATOM 25667 OW SOL 8032 54.070 45.540 26.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25672 ATOM 25668 HW1 SOL 8032 53.940 45.480 25.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25673 ATOM 25669 HW2 SOL 8032 53.320 46.060 26.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25674 ATOM 25670 OW SOL 8033 48.770 52.770 34.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25675 ATOM 25671 HW1 SOL 8033 49.740 52.550 34.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25676 ATOM 25672 HW2 SOL 8033 48.330 52.030 33.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25677 ATOM 25673 OW SOL 8034 41.640 44.980 20.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25678 ATOM 25674 HW1 SOL 8034 42.000 45.810 20.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25679 ATOM 25675 HW2 SOL 8034 41.720 44.210 20.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25680 ATOM 25676 OW SOL 8035 50.870 44.810 24.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25681 ATOM 25677 HW1 SOL 8035 50.890 44.880 25.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25682 ATOM 25678 HW2 SOL 8035 51.770 45.010 24.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25683 ATOM 25679 OW SOL 8036 47.720 54.630 20.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25684 ATOM 25680 HW1 SOL 8036 47.480 53.900 21.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25685 ATOM 25681 HW2 SOL 8036 47.810 54.250 19.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25686 ATOM 25682 OW SOL 8037 53.020 50.180 17.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25687 ATOM 25683 HW1 SOL 8037 53.500 49.350 17.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25688 ATOM 25684 HW2 SOL 8037 52.240 50.340 17.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25689 ATOM 25685 OW SOL 8038 41.840 52.000 23.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25690 ATOM 25686 HW1 SOL 8038 42.500 52.720 22.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25691 ATOM 25687 HW2 SOL 8038 41.880 51.300 22.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25692 ATOM 25688 OW SOL 8039 51.770 37.000 23.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25693 ATOM 25689 HW1 SOL 8039 52.300 37.740 22.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25694 ATOM 25690 HW2 SOL 8039 51.740 36.210 22.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25695 ATOM 25691 OW SOL 8040 47.260 54.470 25.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25696 ATOM 25692 HW1 SOL 8040 48.150 54.010 25.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25697 ATOM 25693 HW2 SOL 8040 46.710 54.020 26.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25698 ATOM 25694 OW SOL 8041 51.590 39.860 36.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25699 ATOM 25695 HW1 SOL 8041 51.680 39.960 37.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25700 ATOM 25696 HW2 SOL 8041 50.650 40.060 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25701 ATOM 25697 OW SOL 8042 43.410 37.030 19.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25702 ATOM 25698 HW1 SOL 8042 42.760 37.050 19.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25703 ATOM 25699 HW2 SOL 8042 42.900 36.970 18.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25704 ATOM 25700 OW SOL 8043 44.920 53.940 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25705 ATOM 25701 HW1 SOL 8043 45.910 54.070 31.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25706 ATOM 25702 HW2 SOL 8043 44.570 54.670 32.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25707 ATOM 25703 OW SOL 8044 50.580 42.850 31.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25708 ATOM 25704 HW1 SOL 8044 50.480 42.860 32.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25709 ATOM 25705 HW2 SOL 8044 51.160 43.610 30.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25710 ATOM 25706 OW SOL 8045 46.320 51.650 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25711 ATOM 25707 HW1 SOL 8045 46.740 51.640 28.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25712 ATOM 25708 HW2 SOL 8045 45.560 52.310 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25713 ATOM 25709 OW SOL 8046 51.040 49.840 18.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25714 ATOM 25710 HW1 SOL 8046 51.190 48.940 19.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25715 ATOM 25711 HW2 SOL 8046 50.300 50.300 19.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25716 ATOM 25712 OW SOL 8047 47.080 36.880 21.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25717 ATOM 25713 HW1 SOL 8047 46.590 37.390 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25718 ATOM 25714 HW2 SOL 8047 47.140 37.440 22.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25719 ATOM 25715 OW SOL 8048 49.700 53.680 26.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25720 ATOM 25716 HW1 SOL 8048 49.850 54.470 26.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25721 ATOM 25717 HW2 SOL 8048 49.860 53.950 27.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25722 ATOM 25718 OW SOL 8049 49.460 56.760 25.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25723 ATOM 25719 HW1 SOL 8049 48.880 56.190 25.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25724 ATOM 25720 HW2 SOL 8049 48.960 57.590 25.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25725 ATOM 25721 OW SOL 8050 46.710 41.030 19.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25726 ATOM 25722 HW1 SOL 8050 46.080 41.810 19.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25727 ATOM 25723 HW2 SOL 8050 47.600 41.290 19.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25728 ATOM 25724 OW SOL 8051 44.700 40.700 23.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25729 ATOM 25725 HW1 SOL 8051 44.990 41.250 24.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25730 ATOM 25726 HW2 SOL 8051 43.810 41.010 22.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25731 ATOM 25727 OW SOL 8052 52.070 49.570 26.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25732 ATOM 25728 HW1 SOL 8052 51.190 49.190 25.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25733 ATOM 25729 HW2 SOL 8052 52.670 49.650 25.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25734 ATOM 25730 OW SOL 8053 51.860 46.150 27.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25735 ATOM 25731 HW1 SOL 8053 52.470 46.070 28.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25736 ATOM 25732 HW2 SOL 8053 50.950 46.420 27.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25737 ATOM 25733 OW SOL 8054 54.320 43.290 22.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25738 ATOM 25734 HW1 SOL 8054 55.260 43.080 22.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25739 ATOM 25735 HW2 SOL 8054 53.970 42.580 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25740 ATOM 25736 OW SOL 8055 42.700 49.690 21.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25741 ATOM 25737 HW1 SOL 8055 42.000 49.090 21.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25742 ATOM 25738 HW2 SOL 8055 43.130 49.230 22.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25743 ATOM 25739 OW SOL 8056 53.630 50.170 24.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25744 ATOM 25740 HW1 SOL 8056 54.460 50.410 24.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25745 ATOM 25741 HW2 SOL 8056 53.350 50.930 23.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25746 ATOM 25742 OW SOL 8057 49.950 42.660 18.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25747 ATOM 25743 HW1 SOL 8057 49.760 42.290 19.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25748 ATOM 25744 HW2 SOL 8057 50.930 42.620 18.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25749 ATOM 25745 OW SOL 8058 52.820 49.940 35.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25750 ATOM 25746 HW1 SOL 8058 53.740 50.040 35.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25751 ATOM 25747 HW2 SOL 8058 52.860 49.470 34.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25752 ATOM 25748 OW SOL 8059 47.490 50.210 33.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25753 ATOM 25749 HW1 SOL 8059 46.530 50.390 33.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25754 ATOM 25750 HW2 SOL 8059 47.560 49.660 34.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25755 ATOM 25751 OW SOL 8060 51.470 54.630 33.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25756 ATOM 25752 HW1 SOL 8060 50.970 55.240 34.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25757 ATOM 25753 HW2 SOL 8060 52.180 55.160 33.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25758 ATOM 25754 OW SOL 8061 48.420 50.070 30.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25759 ATOM 25755 HW1 SOL 8061 48.360 50.300 31.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25760 ATOM 25756 HW2 SOL 8061 47.730 50.590 30.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25761 ATOM 25757 OW SOL 8062 52.990 48.320 28.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25762 ATOM 25758 HW1 SOL 8062 52.600 48.800 29.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25763 ATOM 25759 HW2 SOL 8062 52.480 48.550 27.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25764 ATOM 25760 OW SOL 8063 44.830 48.420 38.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25765 ATOM 25761 HW1 SOL 8063 45.560 48.210 38.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25766 ATOM 25762 HW2 SOL 8063 44.890 47.820 37.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25767 ATOM 25763 OW SOL 8064 46.450 47.110 23.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25768 ATOM 25764 HW1 SOL 8064 47.420 47.030 23.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25769 ATOM 25765 HW2 SOL 8064 46.370 47.750 22.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25770 ATOM 25766 OW SOL 8065 40.820 47.410 21.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25771 ATOM 25767 HW1 SOL 8065 39.900 47.360 22.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25772 ATOM 25768 HW2 SOL 8065 41.080 46.520 21.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25773 ATOM 25769 OW SOL 8066 45.310 43.760 26.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25774 ATOM 25770 HW1 SOL 8066 44.450 43.390 27.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25775 ATOM 25771 HW2 SOL 8066 45.120 44.600 26.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25776 ATOM 25772 OW SOL 8067 48.830 51.440 23.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25777 ATOM 25773 HW1 SOL 8067 49.470 52.040 23.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25778 ATOM 25774 HW2 SOL 8067 47.940 51.890 23.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25779 ATOM 25775 OW SOL 8068 50.180 51.720 29.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25780 ATOM 25776 HW1 SOL 8068 50.600 52.030 30.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25781 ATOM 25777 HW2 SOL 8068 49.540 50.980 29.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25782 ATOM 25778 OW SOL 8069 50.730 41.690 23.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25783 ATOM 25779 HW1 SOL 8069 49.840 41.620 24.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25784 ATOM 25780 HW2 SOL 8069 50.960 42.650 23.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25785 ATOM 25781 OW SOL 8070 53.110 45.610 33.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25786 ATOM 25782 HW1 SOL 8070 52.120 45.630 33.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25787 ATOM 25783 HW2 SOL 8070 53.430 46.490 33.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25788 ATOM 25784 OW SOL 8071 40.520 36.490 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25789 ATOM 25785 HW1 SOL 8071 39.530 36.490 35.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25790 ATOM 25786 HW2 SOL 8071 40.860 35.550 35.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25791 ATOM 25787 OW SOL 8072 49.200 46.590 27.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25792 ATOM 25788 HW1 SOL 8072 49.050 45.610 27.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25793 ATOM 25789 HW2 SOL 8072 48.330 47.070 27.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25794 ATOM 25790 OW SOL 8073 49.420 41.570 20.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25795 ATOM 25791 HW1 SOL 8073 49.940 40.830 21.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25796 ATOM 25792 HW2 SOL 8073 49.060 42.170 21.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25797 ATOM 25793 OW SOL 8074 54.450 45.510 36.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25798 ATOM 25794 HW1 SOL 8074 54.320 45.550 35.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25799 ATOM 25795 HW2 SOL 8074 53.870 46.190 36.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25800 ATOM 25796 OW SOL 8075 51.100 39.920 21.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25801 ATOM 25797 HW1 SOL 8075 51.960 39.410 21.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25802 ATOM 25798 HW2 SOL 8075 51.010 40.590 22.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25803 ATOM 25799 OW SOL 8076 46.740 44.770 29.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25804 ATOM 25800 HW1 SOL 8076 46.950 44.330 29.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25805 ATOM 25801 HW2 SOL 8076 46.310 44.110 28.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25806 ATOM 25802 OW SOL 8077 45.380 50.880 37.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25807 ATOM 25803 HW1 SOL 8077 44.850 51.120 36.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25808 ATOM 25804 HW2 SOL 8077 45.130 49.960 37.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25809 ATOM 25805 OW SOL 8078 55.340 50.690 36.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25810 ATOM 25806 HW1 SOL 8078 55.740 51.280 35.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25811 ATOM 25807 HW2 SOL 8078 56.010 50.010 36.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25812 ATOM 25808 OW SOL 8079 50.700 36.200 18.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25813 ATOM 25809 HW1 SOL 8079 50.080 36.350 19.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25814 ATOM 25810 HW2 SOL 8079 50.600 35.260 18.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25815 ATOM 25811 OW SOL 8080 48.590 45.100 17.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25816 ATOM 25812 HW1 SOL 8080 48.870 44.150 18.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25817 ATOM 25813 HW2 SOL 8080 48.900 45.480 17.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25818 ATOM 25814 OW SOL 8081 47.630 52.040 27.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25819 ATOM 25815 HW1 SOL 8081 47.760 51.070 27.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25820 ATOM 25816 HW2 SOL 8081 48.510 52.510 27.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25821 ATOM 25817 OW SOL 8082 37.710 47.590 19.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25822 ATOM 25818 HW1 SOL 8082 36.780 47.730 19.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25823 ATOM 25819 HW2 SOL 8082 37.990 46.640 19.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25824 ATOM 25820 OW SOL 8083 44.000 53.670 28.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25825 ATOM 25821 HW1 SOL 8083 43.810 54.180 27.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25826 ATOM 25822 HW2 SOL 8083 43.230 53.760 29.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25827 ATOM 25823 OW SOL 8084 49.900 45.900 33.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25828 ATOM 25824 HW1 SOL 8084 49.220 46.050 33.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25829 ATOM 25825 HW2 SOL 8084 49.610 46.330 32.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25830 ATOM 25826 OW SOL 8085 45.930 43.590 22.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25831 ATOM 25827 HW1 SOL 8085 45.530 43.020 21.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25832 ATOM 25828 HW2 SOL 8085 45.390 44.430 22.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25833 ATOM 25829 OW SOL 8086 53.860 42.500 26.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25834 ATOM 25830 HW1 SOL 8086 54.350 42.250 27.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25835 ATOM 25831 HW2 SOL 8086 53.920 43.490 26.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25836 ATOM 25832 OW SOL 8087 47.860 54.160 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25837 ATOM 25833 HW1 SOL 8087 48.250 53.630 31.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25838 ATOM 25834 HW2 SOL 8087 48.550 54.280 30.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25839 ATOM 25835 OW SOL 8088 41.960 41.160 22.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25840 ATOM 25836 HW1 SOL 8088 42.200 42.090 22.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25841 ATOM 25837 HW2 SOL 8088 41.230 41.190 21.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25842 ATOM 25838 OW SOL 8089 49.350 47.460 30.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25843 ATOM 25839 HW1 SOL 8089 49.440 47.260 29.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25844 ATOM 25840 HW2 SOL 8089 48.620 48.130 31.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25845 ATOM 25841 OW SOL 8090 49.370 45.770 20.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25846 ATOM 25842 HW1 SOL 8090 49.070 44.960 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25847 ATOM 25843 HW2 SOL 8090 49.330 45.580 19.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25848 ATOM 25844 OW SOL 8091 56.060 54.740 30.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25849 ATOM 25845 HW1 SOL 8091 56.670 55.190 30.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25850 ATOM 25846 HW2 SOL 8091 56.300 53.770 31.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25851 ATOM 25847 OW SOL 8092 50.020 54.320 29.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25852 ATOM 25848 HW1 SOL 8092 50.860 54.860 29.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25853 ATOM 25849 HW2 SOL 8092 50.230 53.350 29.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25854 ATOM 25850 OW SOL 8093 44.360 55.720 35.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25855 ATOM 25851 HW1 SOL 8093 44.430 56.110 34.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25856 ATOM 25852 HW2 SOL 8093 43.450 55.900 35.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25857 ATOM 25853 OW SOL 8094 53.300 38.510 21.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25858 ATOM 25854 HW1 SOL 8094 53.900 38.390 20.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25859 ATOM 25855 HW2 SOL 8094 53.850 38.590 22.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25860 ATOM 25856 OW SOL 8095 50.100 54.100 23.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25861 ATOM 25857 HW1 SOL 8095 50.440 53.550 22.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25862 ATOM 25858 HW2 SOL 8095 50.120 55.070 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25863 ATOM 25859 OW SOL 8096 48.990 46.620 24.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25864 ATOM 25860 HW1 SOL 8096 49.750 45.980 24.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25865 ATOM 25861 HW2 SOL 8096 49.330 47.550 24.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25866 ATOM 25862 OW SOL 8097 44.890 51.230 32.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25867 ATOM 25863 HW1 SOL 8097 44.620 51.650 33.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25868 ATOM 25864 HW2 SOL 8097 44.720 51.870 32.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25869 ATOM 25865 OW SOL 8098 44.400 51.730 20.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25870 ATOM 25866 HW1 SOL 8098 43.900 52.350 20.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25871 ATOM 25867 HW2 SOL 8098 43.800 50.980 21.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25872 ATOM 25868 OW SOL 8099 53.010 53.500 30.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25873 ATOM 25869 HW1 SOL 8099 53.650 53.470 30.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25874 ATOM 25870 HW2 SOL 8099 53.130 54.350 31.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25875 ATOM 25871 OW SOL 8100 54.350 38.510 28.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25876 ATOM 25872 HW1 SOL 8100 54.220 38.370 29.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25877 ATOM 25873 HW2 SOL 8100 53.480 38.390 27.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25878 ATOM 25874 OW SOL 8101 48.360 52.990 18.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25879 ATOM 25875 HW1 SOL 8101 47.580 52.420 18.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25880 ATOM 25876 HW2 SOL 8101 48.450 52.960 17.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25881 ATOM 25877 OW SOL 8102 44.780 48.800 31.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25882 ATOM 25878 HW1 SOL 8102 45.230 48.870 30.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25883 ATOM 25879 HW2 SOL 8102 44.860 49.670 32.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25884 ATOM 25880 OW SOL 8103 48.220 48.250 19.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25885 ATOM 25881 HW1 SOL 8103 48.460 47.370 20.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25886 ATOM 25882 HW2 SOL 8103 48.710 48.980 20.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25887 ATOM 25883 OW SOL 8104 50.950 54.080 18.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25888 ATOM 25884 HW1 SOL 8104 50.090 53.580 18.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25889 ATOM 25885 HW2 SOL 8104 51.420 53.730 17.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25890 ATOM 25886 OW SOL 8105 51.700 49.090 30.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25891 ATOM 25887 HW1 SOL 8105 51.470 50.010 31.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25892 ATOM 25888 HW2 SOL 8105 50.880 48.520 30.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25893 ATOM 25889 OW SOL 8106 47.730 49.410 26.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25894 ATOM 25890 HW1 SOL 8106 47.540 48.900 27.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25895 ATOM 25891 HW2 SOL 8106 46.910 49.410 26.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25896 ATOM 25892 OW SOL 8107 41.950 50.500 25.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25897 ATOM 25893 HW1 SOL 8107 42.290 49.610 25.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25898 ATOM 25894 HW2 SOL 8107 41.990 51.140 24.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25899 ATOM 25895 OW SOL 8108 52.590 40.880 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25900 ATOM 25896 HW1 SOL 8108 52.320 41.720 32.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25901 ATOM 25897 HW2 SOL 8108 51.930 40.160 32.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25902 ATOM 25898 OW SOL 8109 38.050 48.180 22.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25903 ATOM 25899 HW1 SOL 8109 37.980 47.940 21.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25904 ATOM 25900 HW2 SOL 8109 37.740 49.130 22.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25905 ATOM 25901 OW SOL 8110 37.770 39.750 18.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25906 ATOM 25902 HW1 SOL 8110 37.070 39.060 18.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25907 ATOM 25903 HW2 SOL 8110 38.380 39.410 19.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25908 ATOM 25904 OW SOL 8111 51.940 45.180 30.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25909 ATOM 25905 HW1 SOL 8111 51.680 46.120 30.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25910 ATOM 25906 HW2 SOL 8111 52.790 45.160 29.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25911 ATOM 25907 OW SOL 8112 39.180 39.060 20.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25912 ATOM 25908 HW1 SOL 8112 39.410 40.030 20.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25913 ATOM 25909 HW2 SOL 8112 40.020 38.520 20.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25914 ATOM 25910 OW SOL 8113 49.370 50.750 20.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25915 ATOM 25911 HW1 SOL 8113 48.500 51.110 20.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25916 ATOM 25912 HW2 SOL 8113 49.410 50.880 21.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25917 ATOM 25913 OW SOL 8114 51.970 56.260 28.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25918 ATOM 25914 HW1 SOL 8114 52.280 56.140 27.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25919 ATOM 25915 HW2 SOL 8114 52.740 56.500 29.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25920 ATOM 25916 OW SOL 8115 50.130 48.830 35.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25921 ATOM 25917 HW1 SOL 8115 50.420 48.390 36.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25922 ATOM 25918 HW2 SOL 8115 50.930 49.180 35.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25923 ATOM 25919 OW SOL 8116 39.750 57.240 35.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25924 ATOM 25920 HW1 SOL 8116 39.380 58.060 36.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25925 ATOM 25921 HW2 SOL 8116 39.200 56.450 36.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25926 ATOM 25922 OW SOL 8117 54.150 45.320 29.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25927 ATOM 25923 HW1 SOL 8117 54.830 44.600 28.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25928 ATOM 25924 HW2 SOL 8117 54.430 46.120 28.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25929 ATOM 25925 OW SOL 8118 48.740 39.130 26.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25930 ATOM 25926 HW1 SOL 8118 48.780 38.660 25.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25931 ATOM 25927 HW2 SOL 8118 48.810 40.110 25.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25932 ATOM 25928 OW SOL 8119 42.640 43.490 23.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25933 ATOM 25929 HW1 SOL 8119 43.000 44.360 23.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25934 ATOM 25930 HW2 SOL 8119 42.430 43.570 24.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25935 ATOM 25931 OW SOL 8120 53.580 41.160 35.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25936 ATOM 25932 HW1 SOL 8120 53.440 41.290 34.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25937 ATOM 25933 HW2 SOL 8120 52.770 40.710 36.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25938 ATOM 25934 OW SOL 8121 53.530 48.340 32.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25939 ATOM 25935 HW1 SOL 8121 54.520 48.340 32.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25940 ATOM 25936 HW2 SOL 8121 53.040 48.600 32.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25941 ATOM 25937 OW SOL 8122 46.370 51.430 19.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25942 ATOM 25938 HW1 SOL 8122 45.610 51.640 19.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25943 ATOM 25939 HW2 SOL 8122 46.110 50.680 18.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25944 ATOM 25940 OW SOL 8123 42.720 55.870 26.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25945 ATOM 25941 HW1 SOL 8123 42.560 56.850 26.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25946 ATOM 25942 HW2 SOL 8123 42.490 55.640 25.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25947 ATOM 25943 OW SOL 8124 46.530 47.570 28.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25948 ATOM 25944 HW1 SOL 8124 46.430 46.600 28.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25949 ATOM 25945 HW2 SOL 8124 45.630 47.970 28.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25950 ATOM 25946 OW SOL 8125 46.030 45.880 18.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25951 ATOM 25947 HW1 SOL 8125 45.520 46.170 17.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25952 ATOM 25948 HW2 SOL 8125 46.980 45.710 18.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25953 ATOM 25949 OW SOL 8126 54.590 53.700 26.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25954 ATOM 25950 HW1 SOL 8126 53.780 53.370 25.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25955 ATOM 25951 HW2 SOL 8126 54.730 53.170 26.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25956 ATOM 25952 OW SOL 8127 44.080 52.220 35.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25957 ATOM 25953 HW1 SOL 8127 43.120 52.020 34.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25958 ATOM 25954 HW2 SOL 8127 44.200 53.210 35.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25959 ATOM 25955 OW SOL 8128 55.220 40.760 30.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25960 ATOM 25956 HW1 SOL 8128 55.180 41.390 31.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25961 ATOM 25957 HW2 SOL 8128 56.020 40.170 30.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25962 ATOM 25958 OW SOL 8129 55.090 52.570 28.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25963 ATOM 25959 HW1 SOL 8129 54.400 51.860 28.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25964 ATOM 25960 HW2 SOL 8129 55.880 52.160 29.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25965 ATOM 25961 OW SOL 8130 44.540 50.860 26.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25966 ATOM 25962 HW1 SOL 8130 43.600 50.840 26.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25967 ATOM 25963 HW2 SOL 8130 44.720 51.750 26.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25968 ATOM 25964 OW SOL 8131 53.260 38.460 30.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25969 ATOM 25965 HW1 SOL 8131 52.420 38.440 31.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25970 ATOM 25966 HW2 SOL 8131 53.730 39.330 30.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25971 ATOM 25967 OW SOL 8132 43.630 48.350 23.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25972 ATOM 25968 HW1 SOL 8132 44.580 48.460 24.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25973 ATOM 25969 HW2 SOL 8132 43.530 47.460 23.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25974 ATOM 25970 OW SOL 8133 42.020 54.290 31.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25975 ATOM 25971 HW1 SOL 8133 41.920 55.210 32.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25976 ATOM 25972 HW2 SOL 8133 42.990 54.090 31.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25977 ATOM 25973 OW SOL 8134 49.250 36.130 20.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25978 ATOM 25974 HW1 SOL 8134 49.130 35.220 20.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25979 ATOM 25975 HW2 SOL 8134 48.440 36.370 21.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25980 ATOM 25976 OW SOL 8135 49.180 41.890 26.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25981 ATOM 25977 HW1 SOL 8135 48.670 42.750 26.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25982 ATOM 25978 HW2 SOL 8135 49.810 41.840 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25983 ATOM 25979 OW SOL 8136 51.610 39.050 27.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25984 ATOM 25980 HW1 SOL 8136 50.680 39.420 27.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25985 ATOM 25981 HW2 SOL 8136 52.180 39.480 26.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25986 ATOM 25982 OW SOL 8137 37.940 44.480 19.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25987 ATOM 25983 HW1 SOL 8137 37.880 44.380 20.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25988 ATOM 25984 HW2 SOL 8137 37.440 43.730 19.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25989 ATOM 25985 OW SOL 8138 46.510 52.620 22.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25990 ATOM 25986 HW1 SOL 8138 45.910 52.270 21.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25991 ATOM 25987 HW2 SOL 8138 46.030 53.320 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25992 ATOM 25988 OW SOL 8139 41.440 51.690 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25993 ATOM 25989 HW1 SOL 8139 40.670 52.120 49.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25994 ATOM 25990 HW2 SOL 8139 42.170 52.360 50.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25995 ATOM 25991 OW SOL 8140 51.030 49.950 44.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25996 ATOM 25992 HW1 SOL 8140 51.250 50.210 45.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25997 ATOM 25993 HW2 SOL 8140 51.060 50.760 43.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25998 ATOM 25994 OW SOL 8141 47.710 43.000 43.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
25999 ATOM 25995 HW1 SOL 8141 48.430 43.280 43.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26000 ATOM 25996 HW2 SOL 8141 48.050 43.070 44.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26001 ATOM 25997 OW SOL 8142 54.420 41.890 40.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26002 ATOM 25998 HW1 SOL 8142 54.590 41.800 39.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26003 ATOM 25999 HW2 SOL 8142 54.670 41.040 40.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26004 ATOM 26000 OW SOL 8143 42.700 50.550 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26005 ATOM 26001 HW1 SOL 8143 42.130 51.020 48.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26006 ATOM 26002 HW2 SOL 8143 43.120 51.220 47.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26007 ATOM 26003 OW SOL 8144 49.380 44.890 56.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26008 ATOM 26004 HW1 SOL 8144 48.980 44.230 57.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26009 ATOM 26005 HW2 SOL 8144 49.200 45.820 57.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26010 ATOM 26006 OW SOL 8145 43.450 45.820 45.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26011 ATOM 26007 HW1 SOL 8145 43.280 45.210 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26012 ATOM 26008 HW2 SOL 8145 43.070 46.720 45.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26013 ATOM 26009 OW SOL 8146 43.720 48.920 55.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26014 ATOM 26010 HW1 SOL 8146 43.880 49.040 56.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26015 ATOM 26011 HW2 SOL 8146 42.740 49.000 55.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26016 ATOM 26012 OW SOL 8147 38.630 51.100 48.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26017 ATOM 26013 HW1 SOL 8147 39.020 50.210 48.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26018 ATOM 26014 HW2 SOL 8147 39.070 51.460 47.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26019 ATOM 26015 OW SOL 8148 51.780 51.490 50.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26020 ATOM 26016 HW1 SOL 8148 52.170 52.190 50.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26021 ATOM 26017 HW2 SOL 8148 51.270 51.930 51.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26022 ATOM 26018 OW SOL 8149 51.020 41.040 45.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26023 ATOM 26019 HW1 SOL 8149 50.380 41.780 45.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26024 ATOM 26020 HW2 SOL 8149 51.800 41.400 45.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26025 ATOM 26021 OW SOL 8150 39.980 53.660 43.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26026 ATOM 26022 HW1 SOL 8150 40.340 54.550 42.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26027 ATOM 26023 HW2 SOL 8150 39.660 53.690 44.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26028 ATOM 26024 OW SOL 8151 47.630 51.430 54.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26029 ATOM 26025 HW1 SOL 8151 47.760 52.040 55.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26030 ATOM 26026 HW2 SOL 8151 48.150 50.590 54.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26031 ATOM 26027 OW SOL 8152 36.980 50.390 45.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26032 ATOM 26028 HW1 SOL 8152 36.440 50.850 46.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26033 ATOM 26029 HW2 SOL 8152 36.430 50.290 44.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26034 ATOM 26030 OW SOL 8153 42.240 48.060 45.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26035 ATOM 26031 HW1 SOL 8153 41.380 47.680 46.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26036 ATOM 26032 HW2 SOL 8153 42.560 48.770 46.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26037 ATOM 26033 OW SOL 8154 42.970 55.330 53.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26038 ATOM 26034 HW1 SOL 8154 42.140 55.880 53.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26039 ATOM 26035 HW2 SOL 8154 43.620 55.630 53.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26040 ATOM 26036 OW SOL 8155 53.900 37.000 51.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26041 ATOM 26037 HW1 SOL 8155 54.020 37.730 50.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26042 ATOM 26038 HW2 SOL 8155 53.560 37.400 52.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26043 ATOM 26039 OW SOL 8156 55.740 54.810 40.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26044 ATOM 26040 HW1 SOL 8156 56.670 54.600 40.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26045 ATOM 26041 HW2 SOL 8156 55.750 55.670 39.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26046 ATOM 26042 OW SOL 8157 54.920 45.210 43.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26047 ATOM 26043 HW1 SOL 8157 54.620 46.160 43.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26048 ATOM 26044 HW2 SOL 8157 54.130 44.600 43.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26049 ATOM 26045 OW SOL 8158 53.660 47.550 42.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26050 ATOM 26046 HW1 SOL 8158 54.410 48.030 42.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26051 ATOM 26047 HW2 SOL 8158 53.700 47.720 41.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26052 ATOM 26048 OW SOL 8159 37.600 46.190 52.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26053 ATOM 26049 HW1 SOL 8159 38.360 46.830 51.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26054 ATOM 26050 HW2 SOL 8159 36.930 46.290 51.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26055 ATOM 26051 OW SOL 8160 41.700 50.980 44.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26056 ATOM 26052 HW1 SOL 8160 42.510 50.710 43.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26057 ATOM 26053 HW2 SOL 8160 41.410 51.900 43.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26058 ATOM 26054 OW SOL 8161 47.140 48.940 51.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26059 ATOM 26055 HW1 SOL 8161 47.100 49.790 51.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26060 ATOM 26056 HW2 SOL 8161 48.100 48.720 52.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26061 ATOM 26057 OW SOL 8162 40.500 48.920 48.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26062 ATOM 26058 HW1 SOL 8162 41.440 49.010 48.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26063 ATOM 26059 HW2 SOL 8162 40.060 48.150 48.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26064 ATOM 26060 OW SOL 8163 52.600 45.670 38.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26065 ATOM 26061 HW1 SOL 8163 52.230 44.760 38.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26066 ATOM 26062 HW2 SOL 8163 53.510 45.580 39.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26067 ATOM 26063 OW SOL 8164 51.080 58.350 54.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26068 ATOM 26064 HW1 SOL 8164 51.320 58.630 53.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26069 ATOM 26065 HW2 SOL 8164 51.800 58.620 54.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26070 ATOM 26066 OW SOL 8165 40.900 40.410 54.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26071 ATOM 26067 HW1 SOL 8165 41.280 41.110 54.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26072 ATOM 26068 HW2 SOL 8165 41.450 39.580 54.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26073 ATOM 26069 OW SOL 8166 51.730 50.830 46.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26074 ATOM 26070 HW1 SOL 8166 51.400 50.550 47.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26075 ATOM 26071 HW2 SOL 8166 52.600 50.370 46.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26076 ATOM 26072 OW SOL 8167 52.890 56.840 42.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26077 ATOM 26073 HW1 SOL 8167 52.410 56.760 42.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26078 ATOM 26074 HW2 SOL 8167 52.290 56.520 41.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26079 ATOM 26075 OW SOL 8168 47.870 39.120 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26080 ATOM 26076 HW1 SOL 8168 48.520 39.730 45.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26081 ATOM 26077 HW2 SOL 8168 48.290 38.740 46.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26082 ATOM 26078 OW SOL 8169 53.130 53.070 41.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26083 ATOM 26079 HW1 SOL 8169 54.040 53.400 41.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26084 ATOM 26080 HW2 SOL 8169 52.850 52.340 40.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26085 ATOM 26081 OW SOL 8170 43.150 43.440 50.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26086 ATOM 26082 HW1 SOL 8170 43.340 43.340 51.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26087 ATOM 26083 HW2 SOL 8170 42.430 44.130 50.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26088 ATOM 26084 OW SOL 8171 51.530 41.590 54.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26089 ATOM 26085 HW1 SOL 8171 51.200 41.130 55.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26090 ATOM 26086 HW2 SOL 8171 52.370 41.150 54.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26091 ATOM 26087 OW SOL 8172 45.950 45.710 53.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26092 ATOM 26088 HW1 SOL 8172 46.010 45.240 52.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26093 ATOM 26089 HW2 SOL 8172 45.240 46.420 53.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26094 ATOM 26090 OW SOL 8173 45.100 41.860 49.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26095 ATOM 26091 HW1 SOL 8173 44.360 42.400 50.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26096 ATOM 26092 HW2 SOL 8173 45.000 40.900 49.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26097 ATOM 26093 OW SOL 8174 39.520 57.580 55.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26098 ATOM 26094 HW1 SOL 8174 39.120 56.700 55.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26099 ATOM 26095 HW2 SOL 8174 38.820 58.290 55.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26100 ATOM 26096 OW SOL 8175 46.970 39.550 39.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26101 ATOM 26097 HW1 SOL 8175 47.870 39.360 39.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26102 ATOM 26098 HW2 SOL 8175 46.260 39.120 38.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26103 ATOM 26099 OW SOL 8176 54.280 43.820 56.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26104 ATOM 26100 HW1 SOL 8176 54.340 44.810 56.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26105 ATOM 26101 HW2 SOL 8176 54.070 43.530 55.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26106 ATOM 26102 OW SOL 8177 50.950 48.500 42.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26107 ATOM 26103 HW1 SOL 8177 51.720 47.890 42.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26108 ATOM 26104 HW2 SOL 8177 50.870 49.160 42.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26109 ATOM 26105 OW SOL 8178 48.080 51.520 42.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26110 ATOM 26106 HW1 SOL 8178 47.610 52.330 42.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26111 ATOM 26107 HW2 SOL 8178 48.520 51.740 43.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26112 ATOM 26108 OW SOL 8179 44.080 55.560 43.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26113 ATOM 26109 HW1 SOL 8179 44.860 55.620 44.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26114 ATOM 26110 HW2 SOL 8179 44.040 56.390 43.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26115 ATOM 26111 OW SOL 8180 53.660 47.020 45.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26116 ATOM 26112 HW1 SOL 8180 53.920 46.130 45.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26117 ATOM 26113 HW2 SOL 8180 52.720 46.970 45.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26118 ATOM 26114 OW SOL 8181 49.840 51.690 52.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26119 ATOM 26115 HW1 SOL 8181 48.970 51.770 53.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26120 ATOM 26116 HW2 SOL 8181 50.550 52.180 53.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26121 ATOM 26117 OW SOL 8182 51.130 43.930 44.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26122 ATOM 26118 HW1 SOL 8182 51.680 43.800 44.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26123 ATOM 26119 HW2 SOL 8182 51.710 43.870 43.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26124 ATOM 26120 OW SOL 8183 41.000 49.360 55.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26125 ATOM 26121 HW1 SOL 8183 40.470 49.690 54.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26126 ATOM 26122 HW2 SOL 8183 40.420 49.370 56.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26127 ATOM 26123 OW SOL 8184 49.060 53.760 39.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26128 ATOM 26124 HW1 SOL 8184 48.160 53.880 40.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26129 ATOM 26125 HW2 SOL 8184 49.110 52.860 39.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26130 ATOM 26126 OW SOL 8185 53.670 48.350 39.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26131 ATOM 26127 HW1 SOL 8185 53.080 49.150 39.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26132 ATOM 26128 HW2 SOL 8185 53.180 47.520 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26133 ATOM 26129 OW SOL 8186 43.310 52.430 40.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26134 ATOM 26130 HW1 SOL 8186 42.770 53.090 41.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26135 ATOM 26131 HW2 SOL 8186 43.430 52.770 39.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26136 ATOM 26132 OW SOL 8187 52.270 38.240 41.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26137 ATOM 26133 HW1 SOL 8187 52.810 37.410 41.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26138 ATOM 26134 HW2 SOL 8187 51.650 38.160 42.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26139 ATOM 26135 OW SOL 8188 38.350 54.990 50.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26140 ATOM 26136 HW1 SOL 8188 38.440 55.050 51.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26141 ATOM 26137 HW2 SOL 8188 37.800 54.180 50.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26142 ATOM 26138 OW SOL 8189 46.100 52.930 47.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26143 ATOM 26139 HW1 SOL 8189 46.980 52.640 47.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26144 ATOM 26140 HW2 SOL 8189 45.750 52.230 46.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26145 ATOM 26141 OW SOL 8190 53.820 37.980 53.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26146 ATOM 26142 HW1 SOL 8190 53.260 38.070 54.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26147 ATOM 26143 HW2 SOL 8190 54.170 37.040 53.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26148 ATOM 26144 OW SOL 8191 43.050 38.540 54.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26149 ATOM 26145 HW1 SOL 8191 43.980 38.500 55.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26150 ATOM 26146 HW2 SOL 8191 42.440 37.960 55.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26151 ATOM 26147 OW SOL 8192 43.580 54.280 47.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26152 ATOM 26148 HW1 SOL 8192 43.740 55.260 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26153 ATOM 26149 HW2 SOL 8192 44.420 53.780 47.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26154 ATOM 26150 OW SOL 8193 51.530 41.690 51.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26155 ATOM 26151 HW1 SOL 8193 52.500 41.510 51.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26156 ATOM 26152 HW2 SOL 8193 51.360 41.940 52.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26157 ATOM 26153 OW SOL 8194 45.060 51.060 45.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26158 ATOM 26154 HW1 SOL 8194 45.830 50.430 46.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26159 ATOM 26155 HW2 SOL 8194 44.910 51.260 44.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26160 ATOM 26156 OW SOL 8195 44.980 42.540 44.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26161 ATOM 26157 HW1 SOL 8195 44.350 43.050 44.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26162 ATOM 26158 HW2 SOL 8195 45.900 42.900 44.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26163 ATOM 26159 OW SOL 8196 50.460 47.310 38.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26164 ATOM 26160 HW1 SOL 8196 51.280 46.810 38.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26165 ATOM 26161 HW2 SOL 8196 49.820 47.350 39.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26166 ATOM 26162 OW SOL 8197 46.590 40.380 41.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26167 ATOM 26163 HW1 SOL 8197 46.710 40.110 41.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26168 ATOM 26164 HW2 SOL 8197 47.470 40.360 42.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26169 ATOM 26165 OW SOL 8198 46.320 42.370 54.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26170 ATOM 26166 HW1 SOL 8198 46.850 41.590 53.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26171 ATOM 26167 HW2 SOL 8198 46.930 43.150 54.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26172 ATOM 26168 OW SOL 8199 48.620 51.420 45.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26173 ATOM 26169 HW1 SOL 8199 49.320 50.760 44.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26174 ATOM 26170 HW2 SOL 8199 48.830 51.760 46.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26175 ATOM 26171 OW SOL 8200 49.870 54.500 43.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26176 ATOM 26172 HW1 SOL 8200 50.700 54.990 43.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26177 ATOM 26173 HW2 SOL 8200 49.230 54.510 44.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26178 ATOM 26174 OW SOL 8201 50.940 47.280 44.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26179 ATOM 26175 HW1 SOL 8201 50.470 46.710 44.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26180 ATOM 26176 HW2 SOL 8201 50.900 48.240 44.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26181 ATOM 26177 OW SOL 8202 52.420 43.610 46.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26182 ATOM 26178 HW1 SOL 8202 53.380 43.800 46.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26183 ATOM 26179 HW2 SOL 8202 51.890 43.740 47.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26184 ATOM 26180 OW SOL 8203 52.900 43.440 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26185 ATOM 26181 HW1 SOL 8203 53.320 42.810 42.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26186 ATOM 26182 HW2 SOL 8203 53.380 43.400 41.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26187 ATOM 26183 OW SOL 8204 44.090 53.080 38.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26188 ATOM 26184 HW1 SOL 8204 44.490 53.980 38.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26189 ATOM 26185 HW2 SOL 8204 44.830 52.430 38.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26190 ATOM 26186 OW SOL 8205 54.690 50.860 42.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26191 ATOM 26187 HW1 SOL 8205 55.460 50.250 42.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26192 ATOM 26188 HW2 SOL 8205 53.840 50.420 43.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26193 ATOM 26189 OW SOL 8206 51.710 43.170 38.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26194 ATOM 26190 HW1 SOL 8206 51.780 42.630 39.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26195 ATOM 26191 HW2 SOL 8206 52.530 43.020 37.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26196 ATOM 26192 OW SOL 8207 56.130 49.190 53.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26197 ATOM 26193 HW1 SOL 8207 56.690 48.410 52.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26198 ATOM 26194 HW2 SOL 8207 55.810 49.680 52.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26199 ATOM 26195 OW SOL 8208 45.140 50.150 49.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26200 ATOM 26196 HW1 SOL 8208 45.030 50.850 48.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26201 ATOM 26197 HW2 SOL 8208 44.820 50.510 50.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26202 ATOM 26198 OW SOL 8209 52.030 53.110 54.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26203 ATOM 26199 HW1 SOL 8209 52.590 53.860 53.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26204 ATOM 26200 HW2 SOL 8209 52.620 52.340 54.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26205 ATOM 26201 OW SOL 8210 46.420 47.880 48.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26206 ATOM 26202 HW1 SOL 8210 45.690 48.430 48.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26207 ATOM 26203 HW2 SOL 8210 46.540 48.170 47.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26208 ATOM 26204 OW SOL 8211 50.990 47.240 47.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26209 ATOM 26205 HW1 SOL 8211 50.150 47.400 48.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26210 ATOM 26206 HW2 SOL 8211 50.780 47.190 46.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26211 ATOM 26207 OW SOL 8212 45.600 39.170 50.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26212 ATOM 26208 HW1 SOL 8212 45.830 38.790 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26213 ATOM 26209 HW2 SOL 8212 46.440 39.300 51.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26214 ATOM 26210 OW SOL 8213 46.290 47.650 55.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26215 ATOM 26211 HW1 SOL 8213 45.400 48.090 55.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26216 ATOM 26212 HW2 SOL 8213 46.260 46.780 54.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26217 ATOM 26213 OW SOL 8214 45.500 47.270 43.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26218 ATOM 26214 HW1 SOL 8214 44.740 46.750 44.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26219 ATOM 26215 HW2 SOL 8214 46.330 47.100 44.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26220 ATOM 26216 OW SOL 8215 41.510 46.060 50.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26221 ATOM 26217 HW1 SOL 8215 41.700 47.040 50.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26222 ATOM 26218 HW2 SOL 8215 41.110 45.830 49.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26223 ATOM 26219 OW SOL 8216 49.690 40.120 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26224 ATOM 26220 HW1 SOL 8216 50.480 40.580 50.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26225 ATOM 26221 HW2 SOL 8216 48.940 40.780 50.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26226 ATOM 26222 OW SOL 8217 36.960 52.730 49.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26227 ATOM 26223 HW1 SOL 8217 36.330 52.990 48.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26228 ATOM 26224 HW2 SOL 8217 37.670 52.130 49.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26229 ATOM 26225 OW SOL 8218 40.320 44.410 46.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26230 ATOM 26226 HW1 SOL 8218 39.690 43.640 46.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26231 ATOM 26227 HW2 SOL 8218 41.230 44.070 46.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26232 ATOM 26228 OW SOL 8219 49.820 50.410 40.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26233 ATOM 26229 HW1 SOL 8219 50.250 49.580 40.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26234 ATOM 26230 HW2 SOL 8219 49.180 50.760 41.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26235 ATOM 26231 OW SOL 8220 50.120 50.060 49.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26236 ATOM 26232 HW1 SOL 8220 50.680 50.360 49.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26237 ATOM 26233 HW2 SOL 8220 49.880 49.100 49.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26238 ATOM 26234 OW SOL 8221 54.600 39.680 41.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26239 ATOM 26235 HW1 SOL 8221 55.400 39.240 41.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26240 ATOM 26236 HW2 SOL 8221 53.800 39.080 41.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26241 ATOM 26237 OW SOL 8222 41.210 54.460 46.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26242 ATOM 26238 HW1 SOL 8222 40.850 53.540 45.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26243 ATOM 26239 HW2 SOL 8222 42.130 54.410 46.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26244 ATOM 26240 OW SOL 8223 39.640 44.380 51.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26245 ATOM 26241 HW1 SOL 8223 40.390 45.030 51.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26246 ATOM 26242 HW2 SOL 8223 38.830 44.890 51.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26247 ATOM 26243 OW SOL 8224 53.280 46.460 55.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26248 ATOM 26244 HW1 SOL 8224 52.710 45.740 54.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26249 ATOM 26245 HW2 SOL 8224 53.140 47.310 54.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26250 ATOM 26246 OW SOL 8225 45.760 37.950 55.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26251 ATOM 26247 HW1 SOL 8225 46.460 38.640 55.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26252 ATOM 26248 HW2 SOL 8225 46.190 37.210 54.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26253 ATOM 26249 OW SOL 8226 39.370 36.850 55.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26254 ATOM 26250 HW1 SOL 8226 38.840 36.080 55.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26255 ATOM 26251 HW2 SOL 8226 39.060 37.700 55.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26256 ATOM 26252 OW SOL 8227 44.330 45.340 48.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26257 ATOM 26253 HW1 SOL 8227 44.430 44.930 49.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26258 ATOM 26254 HW2 SOL 8227 44.040 46.290 48.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26259 ATOM 26255 OW SOL 8228 48.970 44.830 49.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26260 ATOM 26256 HW1 SOL 8228 48.180 44.290 50.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26261 ATOM 26257 HW2 SOL 8228 49.740 44.220 49.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26262 ATOM 26258 OW SOL 8229 50.680 42.280 40.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26263 ATOM 26259 HW1 SOL 8229 51.460 42.710 41.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26264 ATOM 26260 HW2 SOL 8229 50.110 42.980 40.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26265 ATOM 26261 OW SOL 8230 40.670 37.670 51.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26266 ATOM 26262 HW1 SOL 8230 41.650 37.860 51.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26267 ATOM 26263 HW2 SOL 8230 40.460 37.060 52.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26268 ATOM 26264 OW SOL 8231 34.360 48.280 53.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26269 ATOM 26265 HW1 SOL 8231 35.150 47.780 53.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26270 ATOM 26266 HW2 SOL 8231 34.260 49.160 53.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26271 ATOM 26267 OW SOL 8232 43.110 43.630 46.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26272 ATOM 26268 HW1 SOL 8232 43.820 43.340 45.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26273 ATOM 26269 HW2 SOL 8232 43.530 44.090 47.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26274 ATOM 26270 OW SOL 8233 55.130 47.740 56.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26275 ATOM 26271 HW1 SOL 8233 54.340 47.420 56.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26276 ATOM 26272 HW2 SOL 8233 55.170 47.250 57.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26277 ATOM 26273 OW SOL 8234 56.370 38.250 40.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26278 ATOM 26274 HW1 SOL 8234 56.340 37.670 39.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26279 ATOM 26275 HW2 SOL 8234 57.220 38.100 40.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26280 ATOM 26276 OW SOL 8235 47.920 42.040 49.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26281 ATOM 26277 HW1 SOL 8235 46.950 41.800 49.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26282 ATOM 26278 HW2 SOL 8235 48.190 42.340 48.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26283 ATOM 26279 OW SOL 8236 44.650 51.330 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26284 ATOM 26280 HW1 SOL 8236 45.630 51.520 54.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26285 ATOM 26281 HW2 SOL 8236 44.410 50.510 55.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26286 ATOM 26282 OW SOL 8237 53.650 51.010 54.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26287 ATOM 26283 HW1 SOL 8237 54.270 51.420 53.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26288 ATOM 26284 HW2 SOL 8237 54.170 50.640 55.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26289 ATOM 26285 OW SOL 8238 40.710 46.590 55.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26290 ATOM 26286 HW1 SOL 8238 40.900 47.490 55.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26291 ATOM 26287 HW2 SOL 8238 40.660 46.650 54.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26292 ATOM 26288 OW SOL 8239 51.230 40.030 39.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26293 ATOM 26289 HW1 SOL 8239 50.900 40.890 39.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26294 ATOM 26290 HW2 SOL 8239 51.690 39.490 40.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26295 ATOM 26291 OW SOL 8240 49.840 45.000 36.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26296 ATOM 26292 HW1 SOL 8240 50.070 45.870 37.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26297 ATOM 26293 HW2 SOL 8240 50.320 44.250 37.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26298 ATOM 26294 OW SOL 8241 46.990 49.340 45.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26299 ATOM 26295 HW1 SOL 8241 47.310 48.430 45.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26300 ATOM 26296 HW2 SOL 8241 47.680 50.020 45.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26301 ATOM 26297 OW SOL 8242 39.430 46.750 47.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26302 ATOM 26298 HW1 SOL 8242 39.760 45.970 47.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26303 ATOM 26299 HW2 SOL 8242 38.450 46.880 47.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26304 ATOM 26300 OW SOL 8243 48.900 40.340 54.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26305 ATOM 26301 HW1 SOL 8243 48.170 40.090 54.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26306 ATOM 26302 HW2 SOL 8243 49.570 40.910 54.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26307 ATOM 26303 OW SOL 8244 48.160 39.030 52.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26308 ATOM 26304 HW1 SOL 8244 48.470 39.550 52.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26309 ATOM 26305 HW2 SOL 8244 48.770 39.210 51.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26310 ATOM 26306 OW SOL 8245 40.890 56.780 47.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26311 ATOM 26307 HW1 SOL 8245 41.010 55.880 47.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26312 ATOM 26308 HW2 SOL 8245 40.600 56.680 48.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26313 ATOM 26309 OW SOL 8246 39.440 51.650 45.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26314 ATOM 26310 HW1 SOL 8246 40.270 51.260 45.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26315 ATOM 26311 HW2 SOL 8246 38.700 50.980 45.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26316 ATOM 26312 OW SOL 8247 46.480 43.930 50.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26317 ATOM 26313 HW1 SOL 8247 46.500 43.370 51.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26318 ATOM 26314 HW2 SOL 8247 46.230 43.360 50.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26319 ATOM 26315 OW SOL 8248 40.150 44.040 55.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26320 ATOM 26316 HW1 SOL 8248 39.350 43.890 56.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26321 ATOM 26317 HW2 SOL 8248 40.210 45.000 55.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26322 ATOM 26318 OW SOL 8249 49.700 48.870 52.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26323 ATOM 26319 HW1 SOL 8249 50.050 49.800 52.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26324 ATOM 26320 HW2 SOL 8249 50.160 48.400 51.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26325 ATOM 26321 OW SOL 8250 51.350 43.410 49.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26326 ATOM 26322 HW1 SOL 8250 51.520 42.700 49.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26327 ATOM 26323 HW2 SOL 8250 52.000 44.160 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26328 ATOM 26324 OW SOL 8251 38.430 52.060 54.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26329 ATOM 26325 HW1 SOL 8251 38.500 52.300 55.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26330 ATOM 26326 HW2 SOL 8251 38.230 51.090 54.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26331 ATOM 26327 OW SOL 8252 49.620 55.650 54.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26332 ATOM 26328 HW1 SOL 8252 49.990 56.580 54.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26333 ATOM 26329 HW2 SOL 8252 49.630 55.290 53.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26334 ATOM 26330 OW SOL 8253 39.360 48.290 51.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26335 ATOM 26331 HW1 SOL 8253 39.710 49.080 52.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26336 ATOM 26332 HW2 SOL 8253 39.430 48.450 50.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26337 ATOM 26333 OW SOL 8254 48.730 47.570 49.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26338 ATOM 26334 HW1 SOL 8254 48.610 46.600 49.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26339 ATOM 26335 HW2 SOL 8254 47.900 47.930 48.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26340 ATOM 26336 OW SOL 8255 48.650 43.980 40.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26341 ATOM 26337 HW1 SOL 8255 47.870 43.550 39.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26342 ATOM 26338 HW2 SOL 8255 48.590 44.970 40.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26343 ATOM 26339 OW SOL 8256 53.000 53.950 49.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26344 ATOM 26340 HW1 SOL 8256 53.960 54.210 49.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26345 ATOM 26341 HW2 SOL 8256 52.640 54.260 48.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26346 ATOM 26342 OW SOL 8257 48.680 52.150 48.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26347 ATOM 26343 HW1 SOL 8257 48.890 52.950 48.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26348 ATOM 26344 HW2 SOL 8257 49.180 51.360 48.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26349 ATOM 26345 OW SOL 8258 37.070 47.600 46.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26350 ATOM 26346 HW1 SOL 8258 36.190 47.430 46.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26351 ATOM 26347 HW2 SOL 8258 37.160 48.580 46.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26352 ATOM 26348 OW SOL 8259 42.330 54.030 56.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26353 ATOM 26349 HW1 SOL 8259 41.360 53.860 55.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26354 ATOM 26350 HW2 SOL 8259 42.730 54.420 55.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26355 ATOM 26351 OW SOL 8260 54.460 41.780 43.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26356 ATOM 26352 HW1 SOL 8260 55.120 41.520 44.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26357 ATOM 26353 HW2 SOL 8260 54.460 41.100 43.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26358 ATOM 26354 OW SOL 8261 51.200 52.290 43.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26359 ATOM 26355 HW1 SOL 8261 51.940 52.520 42.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26360 ATOM 26356 HW2 SOL 8261 50.550 53.050 43.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26361 ATOM 26357 OW SOL 8262 38.450 55.040 55.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26362 ATOM 26358 HW1 SOL 8262 38.320 54.050 56.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26363 ATOM 26359 HW2 SOL 8262 38.340 55.480 56.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26364 ATOM 26360 OW SOL 8263 49.300 45.800 43.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26365 ATOM 26361 HW1 SOL 8263 49.830 44.950 43.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26366 ATOM 26362 HW2 SOL 8263 48.980 45.950 42.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26367 ATOM 26363 OW SOL 8264 44.270 50.850 51.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26368 ATOM 26364 HW1 SOL 8264 44.960 50.950 52.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26369 ATOM 26365 HW2 SOL 8264 43.440 51.340 51.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26370 ATOM 26366 OW SOL 8265 50.790 55.160 51.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26371 ATOM 26367 HW1 SOL 8265 51.670 54.850 50.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26372 ATOM 26368 HW2 SOL 8265 50.850 56.130 51.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26373 ATOM 26369 OW SOL 8266 54.000 39.020 46.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26374 ATOM 26370 HW1 SOL 8266 54.260 38.240 45.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26375 ATOM 26371 HW2 SOL 8266 53.000 39.070 46.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26376 ATOM 26372 OW SOL 8267 48.220 51.240 38.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26377 ATOM 26373 HW1 SOL 8267 48.300 50.730 37.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26378 ATOM 26374 HW2 SOL 8267 47.260 51.380 38.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26379 ATOM 26375 OW SOL 8268 44.570 47.950 51.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26380 ATOM 26376 HW1 SOL 8268 45.560 47.930 51.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26381 ATOM 26377 HW2 SOL 8268 44.280 48.900 51.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26382 ATOM 26378 OW SOL 8269 52.320 51.090 38.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26383 ATOM 26379 HW1 SOL 8269 51.410 50.960 39.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26384 ATOM 26380 HW2 SOL 8269 52.240 51.570 37.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26385 ATOM 26381 OW SOL 8270 40.610 50.410 52.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26386 ATOM 26382 HW1 SOL 8270 40.940 51.090 53.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26387 ATOM 26383 HW2 SOL 8270 40.800 50.710 51.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26388 ATOM 26384 OW SOL 8271 51.960 48.830 51.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26389 ATOM 26385 HW1 SOL 8271 52.410 48.550 51.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26390 ATOM 26386 HW2 SOL 8271 51.990 49.830 50.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26391 ATOM 26387 OW SOL 8272 47.660 46.560 45.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26392 ATOM 26388 HW1 SOL 8272 47.650 45.980 46.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26393 ATOM 26389 HW2 SOL 8272 48.280 46.170 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26394 ATOM 26390 OW SOL 8273 45.170 40.110 47.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26395 ATOM 26391 HW1 SOL 8273 45.350 40.820 47.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26396 ATOM 26392 HW2 SOL 8273 45.200 39.210 47.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26397 ATOM 26393 OW SOL 8274 43.590 49.870 41.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26398 ATOM 26394 HW1 SOL 8274 44.530 49.600 41.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26399 ATOM 26395 HW2 SOL 8274 43.560 50.790 41.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26400 ATOM 26396 OW SOL 8275 54.100 40.970 51.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26401 ATOM 26397 HW1 SOL 8275 54.850 41.620 51.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26402 ATOM 26398 HW2 SOL 8275 54.330 40.320 50.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26403 ATOM 26399 OW SOL 8276 39.310 50.700 42.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26404 ATOM 26400 HW1 SOL 8276 39.630 51.400 42.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26405 ATOM 26401 HW2 SOL 8276 38.410 50.940 41.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26406 ATOM 26402 OW SOL 8277 37.970 49.600 54.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26407 ATOM 26403 HW1 SOL 8277 37.310 48.910 54.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26408 ATOM 26404 HW2 SOL 8277 38.360 49.350 55.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26409 ATOM 26405 OW SOL 8278 43.470 38.010 51.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26410 ATOM 26406 HW1 SOL 8278 44.400 38.200 51.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26411 ATOM 26407 HW2 SOL 8278 43.420 38.150 52.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26412 ATOM 26408 OW SOL 8279 51.260 45.130 51.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26413 ATOM 26409 HW1 SOL 8279 50.310 44.910 51.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26414 ATOM 26410 HW2 SOL 8279 51.620 45.800 50.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26415 ATOM 26411 OW SOL 8280 48.970 46.930 40.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26416 ATOM 26412 HW1 SOL 8280 48.030 47.220 40.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26417 ATOM 26413 HW2 SOL 8280 49.450 47.650 41.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26418 ATOM 26414 OW SOL 8281 43.430 47.890 49.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26419 ATOM 26415 HW1 SOL 8281 43.440 48.810 48.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26420 ATOM 26416 HW2 SOL 8281 44.010 47.850 50.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26421 ATOM 26417 OW SOL 8282 50.870 55.790 47.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26422 ATOM 26418 HW1 SOL 8282 50.120 55.400 48.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26423 ATOM 26419 HW2 SOL 8282 51.270 55.070 47.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26424 ATOM 26420 OW SOL 8283 43.610 43.230 53.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26425 ATOM 26421 HW1 SOL 8283 44.590 43.280 53.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26426 ATOM 26422 HW2 SOL 8283 43.130 42.850 54.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26427 ATOM 26423 OW SOL 8284 53.340 48.560 53.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26428 ATOM 26424 HW1 SOL 8284 52.850 49.380 53.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26429 ATOM 26425 HW2 SOL 8284 54.320 48.750 53.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26430 ATOM 26426 OW SOL 8285 38.950 54.700 53.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26431 ATOM 26427 HW1 SOL 8285 38.620 55.250 54.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26432 ATOM 26428 HW2 SOL 8285 38.930 53.730 53.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26433 ATOM 26429 OW SOL 8286 52.730 45.760 49.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26434 ATOM 26430 HW1 SOL 8286 53.690 45.500 49.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26435 ATOM 26431 HW2 SOL 8286 52.510 46.370 48.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26436 ATOM 26432 OW SOL 8287 49.080 40.340 43.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26437 ATOM 26433 HW1 SOL 8287 49.380 39.400 43.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26438 ATOM 26434 HW2 SOL 8287 49.850 40.920 42.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26439 ATOM 26435 OW SOL 8288 53.930 40.550 53.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26440 ATOM 26436 HW1 SOL 8288 54.210 40.760 52.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26441 ATOM 26437 HW2 SOL 8288 53.760 39.570 53.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26442 ATOM 26438 OW SOL 8289 54.310 45.980 52.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26443 ATOM 26439 HW1 SOL 8289 53.910 45.780 51.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26444 ATOM 26440 HW2 SOL 8289 53.710 46.610 52.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26445 ATOM 26441 OW SOL 8290 47.220 48.760 39.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26446 ATOM 26442 HW1 SOL 8290 46.720 49.340 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26447 ATOM 26443 HW2 SOL 8290 47.860 49.310 39.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26448 ATOM 26444 OW SOL 8291 46.750 56.440 46.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26449 ATOM 26445 HW1 SOL 8291 47.160 56.360 47.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26450 ATOM 26446 HW2 SOL 8291 45.770 56.600 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26451 ATOM 26447 OW SOL 8292 47.120 45.100 47.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26452 ATOM 26448 HW1 SOL 8292 46.130 45.000 47.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26453 ATOM 26449 HW2 SOL 8292 47.530 45.280 48.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26454 ATOM 26450 OW SOL 8293 46.950 45.100 37.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26455 ATOM 26451 HW1 SOL 8293 46.670 44.240 37.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26456 ATOM 26452 HW2 SOL 8293 47.940 45.120 37.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26457 ATOM 26453 OW SOL 8294 55.050 51.570 45.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26458 ATOM 26454 HW1 SOL 8294 54.690 50.730 45.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26459 ATOM 26455 HW2 SOL 8294 54.810 51.600 44.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26460 ATOM 26456 OW SOL 8295 39.110 48.850 57.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26461 ATOM 26457 HW1 SOL 8295 39.300 47.880 57.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26462 ATOM 26458 HW2 SOL 8295 38.860 49.300 58.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26463 ATOM 26459 OW SOL 8296 42.590 52.670 53.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26464 ATOM 26460 HW1 SOL 8296 42.790 53.650 53.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26465 ATOM 26461 HW2 SOL 8296 43.210 52.140 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26466 ATOM 26462 OW SOL 8297 54.760 39.010 49.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26467 ATOM 26463 HW1 SOL 8297 55.750 38.950 49.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26468 ATOM 26464 HW2 SOL 8297 54.320 38.780 48.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26469 ATOM 26465 OW SOL 8298 52.720 53.970 46.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26470 ATOM 26466 HW1 SOL 8298 53.710 53.970 46.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26471 ATOM 26467 HW2 SOL 8298 52.380 53.030 46.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26472 ATOM 26468 OW SOL 8299 44.880 52.690 43.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26473 ATOM 26469 HW1 SOL 8299 44.680 52.330 42.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26474 ATOM 26470 HW2 SOL 8299 44.380 53.550 43.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26475 ATOM 26471 OW SOL 8300 49.010 38.280 48.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26476 ATOM 26472 HW1 SOL 8300 48.800 37.320 48.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26477 ATOM 26473 HW2 SOL 8300 49.480 38.670 48.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26478 ATOM 26474 OW SOL 8301 45.600 37.610 48.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26479 ATOM 26475 HW1 SOL 8301 45.090 37.110 47.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26480 ATOM 26476 HW2 SOL 8301 46.030 36.950 48.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26481 ATOM 26477 OW SOL 8302 46.180 49.530 42.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26482 ATOM 26478 HW1 SOL 8302 45.970 48.930 42.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26483 ATOM 26479 HW2 SOL 8302 46.730 50.300 42.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26484 ATOM 26480 OW SOL 8303 42.520 54.090 50.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26485 ATOM 26481 HW1 SOL 8303 42.430 54.770 50.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26486 ATOM 26482 HW2 SOL 8303 42.830 54.520 49.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26487 ATOM 26483 OW SOL 8304 48.790 43.280 46.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26488 ATOM 26484 HW1 SOL 8304 49.620 43.510 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26489 ATOM 26485 HW2 SOL 8304 48.570 44.020 46.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26490 ATOM 26486 OW SOL 8305 51.340 38.560 46.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26491 ATOM 26487 HW1 SOL 8305 50.480 38.350 46.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26492 ATOM 26488 HW2 SOL 8305 51.270 39.460 46.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26493 ATOM 26489 OW SOL 8306 46.750 53.950 41.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26494 ATOM 26490 HW1 SOL 8306 45.960 54.420 40.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26495 ATOM 26491 HW2 SOL 8306 47.160 54.530 41.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26496 ATOM 26492 OW SOL 8307 40.710 43.470 59.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26497 ATOM 26493 HW1 SOL 8307 40.110 43.680 60.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26498 ATOM 26494 HW2 SOL 8307 41.020 44.310 58.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26499 ATOM 26495 OW SOL 8308 36.770 39.150 66.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26500 ATOM 26496 HW1 SOL 8308 37.060 38.720 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26501 ATOM 26497 HW2 SOL 8308 35.950 38.690 66.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26502 ATOM 26498 OW SOL 8309 38.030 40.610 61.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26503 ATOM 26499 HW1 SOL 8309 37.290 39.930 61.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26504 ATOM 26500 HW2 SOL 8309 38.190 40.990 60.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26505 ATOM 26501 OW SOL 8310 41.600 48.120 67.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26506 ATOM 26502 HW1 SOL 8310 40.790 48.450 66.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26507 ATOM 26503 HW2 SOL 8310 41.340 47.410 68.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26508 ATOM 26504 OW SOL 8311 53.460 51.260 64.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26509 ATOM 26505 HW1 SOL 8311 52.680 50.670 64.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26510 ATOM 26506 HW2 SOL 8311 53.140 52.140 64.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26511 ATOM 26507 OW SOL 8312 47.670 43.820 60.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26512 ATOM 26508 HW1 SOL 8312 48.320 44.580 60.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26513 ATOM 26509 HW2 SOL 8312 47.340 43.610 61.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26514 ATOM 26510 OW SOL 8313 54.320 42.010 58.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26515 ATOM 26511 HW1 SOL 8313 53.930 42.670 57.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26516 ATOM 26512 HW2 SOL 8313 53.610 41.710 58.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26517 ATOM 26513 OW SOL 8314 44.160 47.800 66.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26518 ATOM 26514 HW1 SOL 8314 43.170 47.740 66.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26519 ATOM 26515 HW2 SOL 8314 44.350 48.490 65.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26520 ATOM 26516 OW SOL 8315 44.450 43.050 0.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26521 ATOM 26517 HW1 SOL 8315 44.050 43.820 0.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26522 ATOM 26518 HW2 SOL 8315 43.960 42.900 -0.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26523 ATOM 26519 OW SOL 8316 44.210 44.720 61.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26524 ATOM 26520 HW1 SOL 8316 44.400 44.280 62.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26525 ATOM 26521 HW2 SOL 8316 43.260 45.020 61.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26526 ATOM 26522 OW SOL 8317 39.690 49.480 66.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26527 ATOM 26523 HW1 SOL 8317 38.890 49.080 66.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26528 ATOM 26524 HW2 SOL 8317 39.780 50.440 66.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26529 ATOM 26525 OW SOL 8318 50.790 51.900 69.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26530 ATOM 26526 HW1 SOL 8318 51.280 52.770 69.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26531 ATOM 26527 HW2 SOL 8318 50.020 51.910 69.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26532 ATOM 26528 OW SOL 8319 43.760 39.970 70.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26533 ATOM 26529 HW1 SOL 8319 44.700 40.050 70.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26534 ATOM 26530 HW2 SOL 8319 43.740 39.490 71.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26535 ATOM 26531 OW SOL 8320 50.430 39.440 62.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26536 ATOM 26532 HW1 SOL 8320 50.110 40.000 61.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26537 ATOM 26533 HW2 SOL 8320 50.400 39.970 62.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26538 ATOM 26534 OW SOL 8321 39.480 52.420 60.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26539 ATOM 26535 HW1 SOL 8321 38.680 52.260 61.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26540 ATOM 26536 HW2 SOL 8321 40.130 53.010 61.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26541 ATOM 26537 OW SOL 8322 40.230 49.220 61.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26542 ATOM 26538 HW1 SOL 8322 39.920 48.780 60.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26543 ATOM 26539 HW2 SOL 8322 39.570 49.050 62.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26544 ATOM 26540 OW SOL 8323 39.420 45.350 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26545 ATOM 26541 HW1 SOL 8323 39.540 44.360 64.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26546 ATOM 26542 HW2 SOL 8323 39.510 45.610 65.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26547 ATOM 26543 OW SOL 8324 41.700 53.290 70.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26548 ATOM 26544 HW1 SOL 8324 40.750 53.590 70.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26549 ATOM 26545 HW2 SOL 8324 42.300 54.090 70.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26550 ATOM 26546 OW SOL 8325 44.160 45.890 58.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26551 ATOM 26547 HW1 SOL 8325 45.020 46.330 58.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26552 ATOM 26548 HW2 SOL 8325 44.280 45.390 59.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26553 ATOM 26549 OW SOL 8326 52.270 39.910 71.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26554 ATOM 26550 HW1 SOL 8326 52.990 39.470 71.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26555 ATOM 26551 HW2 SOL 8326 51.850 40.650 71.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26556 ATOM 26552 OW SOL 8327 39.030 44.200 61.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26557 ATOM 26553 HW1 SOL 8327 39.320 43.590 62.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26558 ATOM 26554 HW2 SOL 8327 38.840 45.110 61.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26559 ATOM 26555 OW SOL 8328 57.330 54.150 58.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26560 ATOM 26556 HW1 SOL 8328 57.510 53.730 59.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26561 ATOM 26557 HW2 SOL 8328 57.410 55.140 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26562 ATOM 26558 OW SOL 8329 38.700 52.640 56.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26563 ATOM 26559 HW1 SOL 8329 38.030 52.630 57.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26564 ATOM 26560 HW2 SOL 8329 39.560 52.240 57.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26565 ATOM 26561 OW SOL 8330 53.970 46.310 61.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26566 ATOM 26562 HW1 SOL 8330 54.440 45.820 60.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26567 ATOM 26563 HW2 SOL 8330 53.800 47.250 61.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26568 ATOM 26564 OW SOL 8331 53.680 48.810 60.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26569 ATOM 26565 HW1 SOL 8331 54.510 49.370 60.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26570 ATOM 26566 HW2 SOL 8331 52.910 49.290 60.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26571 ATOM 26567 OW SOL 8332 39.910 42.470 71.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26572 ATOM 26568 HW1 SOL 8332 40.890 42.520 71.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26573 ATOM 26569 HW2 SOL 8332 39.480 43.330 71.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26574 ATOM 26570 OW SOL 8333 42.590 49.930 64.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26575 ATOM 26571 HW1 SOL 8333 42.020 49.200 64.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26576 ATOM 26572 HW2 SOL 8333 42.670 49.820 63.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26577 ATOM 26573 OW SOL 8334 49.870 48.430 69.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26578 ATOM 26574 HW1 SOL 8334 50.710 48.860 68.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26579 ATOM 26575 HW2 SOL 8334 50.110 47.710 69.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26580 ATOM 26576 OW SOL 8335 45.530 37.600 62.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26581 ATOM 26577 HW1 SOL 8335 45.380 37.890 61.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26582 ATOM 26578 HW2 SOL 8335 44.650 37.580 62.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26583 ATOM 26579 OW SOL 8336 39.900 44.950 67.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26584 ATOM 26580 HW1 SOL 8336 40.560 44.300 67.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26585 ATOM 26581 HW2 SOL 8336 39.130 44.460 66.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26586 ATOM 26582 OW SOL 8337 52.060 47.050 58.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26587 ATOM 26583 HW1 SOL 8337 52.120 46.090 58.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26588 ATOM 26584 HW2 SOL 8337 52.910 47.350 59.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26589 ATOM 26585 OW SOL 8338 51.620 57.830 0.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26590 ATOM 26586 HW1 SOL 8338 50.890 57.340 -0.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26591 ATOM 26587 HW2 SOL 8338 52.510 57.460 0.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26592 ATOM 26588 OW SOL 8339 39.360 38.720 1.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26593 ATOM 26589 HW1 SOL 8339 39.600 39.280 2.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26594 ATOM 26590 HW2 SOL 8339 39.930 38.980 0.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26595 ATOM 26591 OW SOL 8340 51.140 49.780 64.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26596 ATOM 26592 HW1 SOL 8340 50.740 50.210 64.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26597 ATOM 26593 HW2 SOL 8340 50.840 48.830 64.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26598 ATOM 26594 OW SOL 8341 55.200 53.740 61.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26599 ATOM 26595 HW1 SOL 8341 55.330 52.840 62.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26600 ATOM 26596 HW2 SOL 8341 54.690 53.630 60.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26601 ATOM 26597 OW SOL 8342 45.190 44.210 56.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26602 ATOM 26598 HW1 SOL 8342 46.130 44.410 56.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26603 ATOM 26599 HW2 SOL 8342 44.920 44.770 57.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26604 ATOM 26600 OW SOL 8343 49.670 41.790 64.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26605 ATOM 26601 HW1 SOL 8343 48.960 41.250 64.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26606 ATOM 26602 HW2 SOL 8343 49.760 41.500 65.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26607 ATOM 26603 OW SOL 8344 53.920 53.110 59.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26608 ATOM 26604 HW1 SOL 8344 53.390 52.460 58.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26609 ATOM 26605 HW2 SOL 8344 54.120 53.920 58.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26610 ATOM 26606 OW SOL 8345 46.170 42.530 68.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26611 ATOM 26607 HW1 SOL 8345 46.560 42.250 69.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26612 ATOM 26608 HW2 SOL 8345 46.230 41.770 67.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26613 ATOM 26609 OW SOL 8346 47.120 45.350 70.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26614 ATOM 26610 HW1 SOL 8346 47.670 44.700 70.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26615 ATOM 26611 HW2 SOL 8346 46.360 45.670 70.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26616 ATOM 26612 OW SOL 8347 46.380 40.890 65.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26617 ATOM 26613 HW1 SOL 8347 45.630 40.230 65.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26618 ATOM 26614 HW2 SOL 8347 47.030 40.710 65.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26619 ATOM 26615 OW SOL 8348 48.000 43.260 58.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26620 ATOM 26616 HW1 SOL 8348 47.980 43.420 59.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26621 ATOM 26617 HW2 SOL 8348 47.500 42.420 58.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26622 ATOM 26618 OW SOL 8349 36.010 42.390 61.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26623 ATOM 26619 HW1 SOL 8349 35.430 41.880 62.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26624 ATOM 26620 HW2 SOL 8349 36.960 42.080 61.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26625 ATOM 26621 OW SOL 8350 36.470 53.930 70.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26626 ATOM 26622 HW1 SOL 8350 36.490 53.920 71.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26627 ATOM 26623 HW2 SOL 8350 35.530 53.870 69.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26628 ATOM 26624 OW SOL 8351 44.460 37.040 57.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26629 ATOM 26625 HW1 SOL 8351 44.980 37.240 57.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26630 ATOM 26626 HW2 SOL 8351 43.490 36.940 57.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26631 ATOM 26627 OW SOL 8352 49.440 47.520 58.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26632 ATOM 26628 HW1 SOL 8352 50.380 47.280 58.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26633 ATOM 26629 HW2 SOL 8352 49.350 48.510 58.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26634 ATOM 26630 OW SOL 8353 41.150 37.520 65.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26635 ATOM 26631 HW1 SOL 8353 41.660 37.390 66.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26636 ATOM 26632 HW2 SOL 8353 41.450 38.370 65.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26637 ATOM 26633 OW SOL 8354 46.490 51.350 60.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26638 ATOM 26634 HW1 SOL 8354 45.760 52.020 60.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26639 ATOM 26635 HW2 SOL 8354 47.320 51.820 60.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26640 ATOM 26636 OW SOL 8355 39.330 53.040 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26641 ATOM 26637 HW1 SOL 8355 40.250 52.710 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26642 ATOM 26638 HW2 SOL 8355 39.090 52.910 65.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26643 ATOM 26639 OW SOL 8356 55.000 45.560 64.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26644 ATOM 26640 HW1 SOL 8356 54.640 45.450 63.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26645 ATOM 26641 HW2 SOL 8356 54.320 46.010 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26646 ATOM 26642 OW SOL 8357 48.280 52.390 70.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26647 ATOM 26643 HW1 SOL 8357 47.960 51.480 70.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26648 ATOM 26644 HW2 SOL 8357 47.770 53.090 70.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26649 ATOM 26645 OW SOL 8358 41.660 45.510 58.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26650 ATOM 26646 HW1 SOL 8358 42.590 45.820 58.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26651 ATOM 26647 HW2 SOL 8358 41.570 45.270 57.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26652 ATOM 26648 OW SOL 8359 51.610 45.050 62.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26653 ATOM 26649 HW1 SOL 8359 51.720 44.440 62.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26654 ATOM 26650 HW2 SOL 8359 52.500 45.430 61.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26655 ATOM 26651 OW SOL 8360 43.090 46.500 0.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26656 ATOM 26652 HW1 SOL 8360 42.540 47.090 -0.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26657 ATOM 26653 HW2 SOL 8360 44.060 46.650 0.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26658 ATOM 26654 OW SOL 8361 45.840 53.470 56.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26659 ATOM 26655 HW1 SOL 8361 46.500 52.940 57.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26660 ATOM 26656 HW2 SOL 8361 44.970 52.970 56.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26661 ATOM 26657 OW SOL 8362 41.150 38.150 70.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26662 ATOM 26658 HW1 SOL 8362 41.380 38.650 70.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26663 ATOM 26659 HW2 SOL 8362 40.450 37.460 70.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26664 ATOM 26660 OW SOL 8363 52.350 50.970 57.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26665 ATOM 26661 HW1 SOL 8363 51.580 51.610 57.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26666 ATOM 26662 HW2 SOL 8363 52.060 50.100 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26667 ATOM 26663 OW SOL 8364 41.530 54.210 61.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26668 ATOM 26664 HW1 SOL 8364 41.070 54.840 61.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26669 ATOM 26665 HW2 SOL 8364 42.270 53.740 61.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26670 ATOM 26666 OW SOL 8365 51.010 37.780 58.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26671 ATOM 26667 HW1 SOL 8365 51.190 36.950 58.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26672 ATOM 26668 HW2 SOL 8365 51.810 37.980 59.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26673 ATOM 26669 OW SOL 8366 39.790 51.710 67.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26674 ATOM 26670 HW1 SOL 8366 39.880 51.400 68.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26675 ATOM 26671 HW2 SOL 8366 40.690 51.890 67.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26676 ATOM 26672 OW SOL 8367 46.140 53.300 62.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26677 ATOM 26673 HW1 SOL 8367 46.620 52.470 63.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26678 ATOM 26674 HW2 SOL 8367 45.520 53.090 62.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26679 ATOM 26675 OW SOL 8368 41.950 41.250 60.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26680 ATOM 26676 HW1 SOL 8368 41.300 41.160 61.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26681 ATOM 26677 HW2 SOL 8368 41.620 41.930 59.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26682 ATOM 26678 OW SOL 8369 41.890 36.910 56.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26683 ATOM 26679 HW1 SOL 8369 42.000 35.920 56.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26684 ATOM 26680 HW2 SOL 8369 40.910 37.130 56.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26685 ATOM 26681 OW SOL 8370 44.410 38.630 1.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26686 ATOM 26682 HW1 SOL 8370 45.310 38.410 0.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26687 ATOM 26683 HW2 SOL 8370 43.870 37.790 1.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26688 ATOM 26684 OW SOL 8371 45.440 51.450 68.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26689 ATOM 26685 HW1 SOL 8371 45.110 51.040 67.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26690 ATOM 26686 HW2 SOL 8371 46.230 50.940 68.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26691 ATOM 26687 OW SOL 8372 51.360 42.270 67.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26692 ATOM 26688 HW1 SOL 8372 51.680 41.370 67.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26693 ATOM 26689 HW2 SOL 8372 52.090 42.950 67.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26694 ATOM 26690 OW SOL 8373 44.950 50.390 65.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26695 ATOM 26691 HW1 SOL 8373 45.690 50.770 65.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26696 ATOM 26692 HW2 SOL 8373 44.110 50.380 65.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26697 ATOM 26693 OW SOL 8374 47.650 40.580 63.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26698 ATOM 26694 HW1 SOL 8374 47.210 40.490 62.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26699 ATOM 26695 HW2 SOL 8374 47.860 39.670 63.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26700 ATOM 26696 OW SOL 8375 42.660 37.640 62.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26701 ATOM 26697 HW1 SOL 8375 42.320 38.330 63.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26702 ATOM 26698 HW2 SOL 8375 42.590 37.980 61.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26703 ATOM 26699 OW SOL 8376 51.750 48.500 56.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26704 ATOM 26700 HW1 SOL 8376 51.830 47.950 57.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26705 ATOM 26701 HW2 SOL 8376 51.060 48.100 56.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26706 ATOM 26702 OW SOL 8377 39.590 37.320 59.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26707 ATOM 26703 HW1 SOL 8377 40.580 37.460 59.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26708 ATOM 26704 HW2 SOL 8377 39.190 37.620 58.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26709 ATOM 26705 OW SOL 8378 46.240 38.210 59.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26710 ATOM 26706 HW1 SOL 8378 45.670 37.620 58.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26711 ATOM 26707 HW2 SOL 8378 47.110 38.380 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26712 ATOM 26708 OW SOL 8379 48.800 42.540 69.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26713 ATOM 26709 HW1 SOL 8379 48.900 41.660 69.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26714 ATOM 26710 HW2 SOL 8379 49.190 43.270 69.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26715 ATOM 26711 OW SOL 8380 49.140 52.290 61.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26716 ATOM 26712 HW1 SOL 8380 50.090 52.000 61.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26717 ATOM 26713 HW2 SOL 8380 48.980 52.610 62.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26718 ATOM 26714 OW SOL 8381 41.920 45.840 62.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26719 ATOM 26715 HW1 SOL 8381 41.190 45.890 63.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26720 ATOM 26716 HW2 SOL 8381 41.870 46.650 62.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26721 ATOM 26717 OW SOL 8382 51.410 55.310 61.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26722 ATOM 26718 HW1 SOL 8382 52.000 55.990 61.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26723 ATOM 26719 HW2 SOL 8382 50.470 55.660 62.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26724 ATOM 26720 OW SOL 8383 48.050 44.350 54.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26725 ATOM 26721 HW1 SOL 8383 48.160 44.770 55.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26726 ATOM 26722 HW2 SOL 8383 47.540 44.970 53.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26727 ATOM 26723 OW SOL 8384 38.550 41.610 69.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26728 ATOM 26724 HW1 SOL 8384 38.890 40.760 68.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26729 ATOM 26725 HW2 SOL 8384 39.020 41.800 69.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26730 ATOM 26726 OW SOL 8385 42.660 36.960 68.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26731 ATOM 26727 HW1 SOL 8385 43.520 36.660 68.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26732 ATOM 26728 HW2 SOL 8385 42.180 37.550 68.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26733 ATOM 26729 OW SOL 8386 46.610 40.470 60.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26734 ATOM 26730 HW1 SOL 8386 45.840 41.070 60.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26735 ATOM 26731 HW2 SOL 8386 46.510 39.610 60.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26736 ATOM 26732 OW SOL 8387 47.520 36.220 63.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26737 ATOM 26733 HW1 SOL 8387 46.790 36.850 62.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26738 ATOM 26734 HW2 SOL 8387 47.160 35.280 63.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26739 ATOM 26735 OW SOL 8388 50.300 47.190 64.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26740 ATOM 26736 HW1 SOL 8388 50.030 47.620 65.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26741 ATOM 26737 HW2 SOL 8388 50.060 46.220 64.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26742 ATOM 26738 OW SOL 8389 52.050 43.120 64.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26743 ATOM 26739 HW1 SOL 8389 51.330 42.470 64.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26744 ATOM 26740 HW2 SOL 8389 52.810 43.040 64.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26745 ATOM 26741 OW SOL 8390 54.970 43.890 60.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26746 ATOM 26742 HW1 SOL 8390 55.350 43.390 61.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26747 ATOM 26743 HW2 SOL 8390 54.880 43.280 59.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26748 ATOM 26744 OW SOL 8391 41.270 51.070 58.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26749 ATOM 26745 HW1 SOL 8391 40.700 51.450 59.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26750 ATOM 26746 HW2 SOL 8391 41.090 50.100 58.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26751 ATOM 26747 OW SOL 8392 51.490 50.350 61.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26752 ATOM 26748 HW1 SOL 8392 51.880 51.260 61.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26753 ATOM 26749 HW2 SOL 8392 51.340 50.210 62.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26754 ATOM 26750 OW SOL 8393 50.840 40.500 57.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26755 ATOM 26751 HW1 SOL 8393 50.010 40.580 57.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26756 ATOM 26752 HW2 SOL 8393 51.630 40.470 57.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26757 ATOM 26753 OW SOL 8394 42.270 38.270 59.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26758 ATOM 26754 HW1 SOL 8394 42.010 39.230 59.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26759 ATOM 26755 HW2 SOL 8394 43.120 38.210 59.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26760 ATOM 26756 OW SOL 8395 55.400 47.110 69.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26761 ATOM 26757 HW1 SOL 8395 56.020 47.510 68.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26762 ATOM 26758 HW2 SOL 8395 54.840 47.830 69.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26763 ATOM 26759 OW SOL 8396 47.420 49.940 69.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26764 ATOM 26760 HW1 SOL 8396 47.070 49.770 70.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26765 ATOM 26761 HW2 SOL 8396 48.220 49.380 69.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26766 ATOM 26762 OW SOL 8397 47.510 48.470 66.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26767 ATOM 26763 HW1 SOL 8397 46.750 49.110 66.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26768 ATOM 26764 HW2 SOL 8397 47.540 48.100 65.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26769 ATOM 26765 OW SOL 8398 53.000 46.760 65.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26770 ATOM 26766 HW1 SOL 8398 53.370 47.640 65.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26771 ATOM 26767 HW2 SOL 8398 52.060 46.900 65.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26772 ATOM 26768 OW SOL 8399 46.470 38.460 68.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26773 ATOM 26769 HW1 SOL 8399 46.610 37.500 68.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26774 ATOM 26770 HW2 SOL 8399 47.230 38.790 69.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26775 ATOM 26771 OW SOL 8400 46.310 46.250 61.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26776 ATOM 26772 HW1 SOL 8400 45.520 45.640 61.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26777 ATOM 26773 HW2 SOL 8400 47.050 45.780 61.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26778 ATOM 26774 OW SOL 8401 42.680 40.330 68.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26779 ATOM 26775 HW1 SOL 8401 42.990 40.190 68.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26780 ATOM 26776 HW2 SOL 8401 41.730 40.060 67.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26781 ATOM 26777 OW SOL 8402 48.980 40.520 67.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26782 ATOM 26778 HW1 SOL 8402 49.430 39.650 67.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26783 ATOM 26779 HW2 SOL 8402 48.010 40.450 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26784 ATOM 26780 OW SOL 8403 35.250 52.830 67.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26785 ATOM 26781 HW1 SOL 8403 35.140 53.350 66.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26786 ATOM 26782 HW2 SOL 8403 36.190 52.930 67.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26787 ATOM 26783 OW SOL 8404 37.690 46.950 61.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26788 ATOM 26784 HW1 SOL 8404 38.150 46.920 62.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26789 ATOM 26785 HW2 SOL 8404 37.230 47.840 61.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26790 ATOM 26786 OW SOL 8405 41.730 39.770 64.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26791 ATOM 26787 HW1 SOL 8405 41.310 40.150 63.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26792 ATOM 26788 HW2 SOL 8405 41.980 40.510 64.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26793 ATOM 26789 OW SOL 8406 49.610 50.270 59.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26794 ATOM 26790 HW1 SOL 8406 50.590 50.120 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26795 ATOM 26791 HW2 SOL 8406 49.350 50.880 59.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26796 ATOM 26792 OW SOL 8407 49.530 50.850 66.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26797 ATOM 26793 HW1 SOL 8407 50.010 51.340 67.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26798 ATOM 26794 HW2 SOL 8407 49.020 50.090 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26799 ATOM 26795 OW SOL 8408 50.970 43.400 60.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26800 ATOM 26796 HW1 SOL 8408 51.240 44.040 60.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26801 ATOM 26797 HW2 SOL 8408 51.310 43.730 59.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26802 ATOM 26798 OW SOL 8409 43.660 48.730 69.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26803 ATOM 26799 HW1 SOL 8409 43.390 48.720 68.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26804 ATOM 26800 HW2 SOL 8409 44.120 49.600 69.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26805 ATOM 26801 OW SOL 8410 42.520 42.450 70.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26806 ATOM 26802 HW1 SOL 8410 42.870 43.130 70.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26807 ATOM 26803 HW2 SOL 8410 42.910 41.560 70.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26808 ATOM 26804 OW SOL 8411 51.780 43.470 1.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26809 ATOM 26805 HW1 SOL 8411 52.170 42.560 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26810 ATOM 26806 HW2 SOL 8411 51.930 44.040 0.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26811 ATOM 26807 OW SOL 8412 41.790 43.140 67.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26812 ATOM 26808 HW1 SOL 8412 42.410 43.700 68.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26813 ATOM 26809 HW2 SOL 8412 42.140 42.200 67.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26814 ATOM 26810 OW SOL 8413 49.030 44.770 64.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26815 ATOM 26811 HW1 SOL 8413 48.090 44.740 64.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26816 ATOM 26812 HW2 SOL 8413 49.560 44.020 64.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26817 ATOM 26813 OW SOL 8414 47.440 39.910 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26818 ATOM 26814 HW1 SOL 8414 47.920 39.640 57.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26819 ATOM 26815 HW2 SOL 8414 46.710 40.560 56.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26820 ATOM 26816 OW SOL 8415 37.550 38.180 69.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26821 ATOM 26817 HW1 SOL 8415 37.460 38.120 70.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26822 ATOM 26818 HW2 SOL 8415 37.950 37.330 68.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26823 ATOM 26819 OW SOL 8416 36.940 50.140 69.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26824 ATOM 26820 HW1 SOL 8416 36.170 50.700 70.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26825 ATOM 26821 HW2 SOL 8416 37.780 50.670 69.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26826 ATOM 26822 OW SOL 8417 42.080 42.790 64.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26827 ATOM 26823 HW1 SOL 8417 42.740 43.390 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26828 ATOM 26824 HW2 SOL 8417 42.020 43.020 65.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26829 ATOM 26825 OW SOL 8418 36.070 38.630 60.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26830 ATOM 26826 HW1 SOL 8418 35.470 38.240 60.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26831 ATOM 26827 HW2 SOL 8418 35.620 38.560 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26832 ATOM 26828 OW SOL 8419 52.330 40.950 59.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26833 ATOM 26829 HW1 SOL 8419 52.400 40.230 60.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26834 ATOM 26830 HW2 SOL 8419 51.990 41.790 60.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26835 ATOM 26831 OW SOL 8420 46.570 43.340 63.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26836 ATOM 26832 HW1 SOL 8420 45.990 43.710 64.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26837 ATOM 26833 HW2 SOL 8420 46.720 42.360 63.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26838 ATOM 26834 OW SOL 8421 54.060 49.420 70.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26839 ATOM 26835 HW1 SOL 8421 54.540 50.290 70.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26840 ATOM 26836 HW2 SOL 8421 53.800 49.220 71.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26841 ATOM 26837 OW SOL 8422 52.160 38.020 56.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26842 ATOM 26838 HW1 SOL 8422 51.450 37.370 55.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26843 ATOM 26839 HW2 SOL 8422 51.750 38.810 56.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26844 ATOM 26840 OW SOL 8423 52.130 44.320 54.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26845 ATOM 26841 HW1 SOL 8423 51.560 43.620 54.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26846 ATOM 26842 HW2 SOL 8423 51.830 44.440 53.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26847 ATOM 26843 OW SOL 8424 47.350 50.720 64.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26848 ATOM 26844 HW1 SOL 8424 47.510 49.740 64.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26849 ATOM 26845 HW2 SOL 8424 48.220 51.190 64.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26850 ATOM 26846 OW SOL 8425 39.800 42.710 63.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26851 ATOM 26847 HW1 SOL 8425 40.570 42.720 64.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26852 ATOM 26848 HW2 SOL 8425 39.120 42.040 63.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26853 ATOM 26849 OW SOL 8426 38.380 40.490 64.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26854 ATOM 26850 HW1 SOL 8426 37.830 39.880 65.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26855 ATOM 26851 HW2 SOL 8426 39.190 39.990 64.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26856 ATOM 26852 OW SOL 8427 48.960 38.520 70.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26857 ATOM 26853 HW1 SOL 8427 49.300 37.930 70.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26858 ATOM 26854 HW2 SOL 8427 49.430 38.290 69.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26859 ATOM 26855 OW SOL 8428 35.480 50.350 57.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26860 ATOM 26856 HW1 SOL 8428 35.200 51.290 57.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26861 ATOM 26857 HW2 SOL 8428 35.860 50.270 56.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26862 ATOM 26858 OW SOL 8429 37.560 52.310 62.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26863 ATOM 26859 HW1 SOL 8429 36.690 51.900 62.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26864 ATOM 26860 HW2 SOL 8429 38.070 52.600 63.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26865 ATOM 26861 OW SOL 8430 41.930 51.980 66.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26866 ATOM 26862 HW1 SOL 8430 42.580 52.740 66.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26867 ATOM 26863 HW2 SOL 8430 42.300 51.290 65.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26868 ATOM 26864 OW SOL 8431 46.340 44.440 66.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26869 ATOM 26865 HW1 SOL 8431 47.180 44.920 66.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26870 ATOM 26866 HW2 SOL 8431 46.150 43.730 67.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26871 ATOM 26867 OW SOL 8432 38.280 42.800 66.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26872 ATOM 26868 HW1 SOL 8432 38.300 41.920 65.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26873 ATOM 26869 HW2 SOL 8432 38.250 42.650 67.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26874 ATOM 26870 OW SOL 8433 45.810 41.660 57.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26875 ATOM 26871 HW1 SOL 8433 45.390 42.280 57.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26876 ATOM 26872 HW2 SOL 8433 45.320 41.730 58.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26877 ATOM 26873 OW SOL 8434 54.980 42.580 65.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26878 ATOM 26874 HW1 SOL 8434 54.900 42.090 66.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26879 ATOM 26875 HW2 SOL 8434 55.920 42.890 65.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26880 ATOM 26876 OW SOL 8435 40.930 50.450 72.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26881 ATOM 26877 HW1 SOL 8435 41.870 50.790 72.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26882 ATOM 26878 HW2 SOL 8435 40.860 49.540 71.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26883 ATOM 26879 OW SOL 8436 44.220 39.310 66.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26884 ATOM 26880 HW1 SOL 8436 44.460 38.360 66.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26885 ATOM 26881 HW2 SOL 8436 43.650 39.670 66.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26886 ATOM 26882 OW SOL 8437 46.790 54.020 69.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26887 ATOM 26883 HW1 SOL 8437 46.180 53.520 68.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26888 ATOM 26884 HW2 SOL 8437 47.180 54.800 68.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26889 ATOM 26885 OW SOL 8438 42.410 42.370 55.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26890 ATOM 26886 HW1 SOL 8438 43.140 42.740 56.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26891 ATOM 26887 HW2 SOL 8438 41.680 43.040 55.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26892 ATOM 26888 OW SOL 8439 40.680 46.310 69.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26893 ATOM 26889 HW1 SOL 8439 40.410 45.840 70.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26894 ATOM 26890 HW2 SOL 8439 40.410 45.760 68.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26895 ATOM 26891 OW SOL 8440 49.070 45.850 67.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26896 ATOM 26892 HW1 SOL 8440 49.420 45.350 66.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26897 ATOM 26893 HW2 SOL 8440 48.810 46.770 67.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26898 ATOM 26894 OW SOL 8441 51.840 44.410 57.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26899 ATOM 26895 HW1 SOL 8441 50.960 44.400 57.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26900 ATOM 26896 HW2 SOL 8441 52.580 44.280 57.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26901 ATOM 26897 OW SOL 8442 54.670 53.460 69.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26902 ATOM 26898 HW1 SOL 8442 55.200 53.750 68.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26903 ATOM 26899 HW2 SOL 8442 55.100 52.650 69.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26904 ATOM 26900 OW SOL 8443 49.560 52.610 64.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26905 ATOM 26901 HW1 SOL 8443 50.500 52.940 64.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26906 ATOM 26902 HW2 SOL 8443 49.140 52.520 65.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26907 ATOM 26903 OW SOL 8444 37.400 48.580 67.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26908 ATOM 26904 HW1 SOL 8444 37.190 49.180 68.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26909 ATOM 26905 HW2 SOL 8444 36.950 47.690 67.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26910 ATOM 26906 OW SOL 8445 55.470 39.570 60.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26911 ATOM 26907 HW1 SOL 8445 55.750 40.110 59.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26912 ATOM 26908 HW2 SOL 8445 54.680 39.010 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26913 ATOM 26909 OW SOL 8446 52.330 52.860 61.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26914 ATOM 26910 HW1 SOL 8446 52.750 53.110 60.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26915 ATOM 26911 HW2 SOL 8446 51.820 53.650 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26916 ATOM 26912 OW SOL 8447 49.170 45.960 61.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26917 ATOM 26913 HW1 SOL 8447 49.960 45.690 61.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26918 ATOM 26914 HW2 SOL 8447 49.460 46.640 60.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26919 ATOM 26915 OW SOL 8448 46.410 50.220 72.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26920 ATOM 26916 HW1 SOL 8448 47.060 50.350 73.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26921 ATOM 26917 HW2 SOL 8448 45.650 50.870 72.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26922 ATOM 26918 OW SOL 8449 43.270 52.000 57.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26923 ATOM 26919 HW1 SOL 8449 42.870 52.640 57.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26924 ATOM 26920 HW2 SOL 8449 42.560 51.660 58.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26925 ATOM 26921 OW SOL 8450 52.260 54.190 69.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26926 ATOM 26922 HW1 SOL 8450 53.240 53.980 69.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26927 ATOM 26923 HW2 SOL 8450 51.940 54.400 70.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26928 ATOM 26924 OW SOL 8451 53.480 38.310 64.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26929 ATOM 26925 HW1 SOL 8451 54.050 37.520 64.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26930 ATOM 26926 HW2 SOL 8451 52.520 38.030 64.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26931 ATOM 26927 OW SOL 8452 34.360 39.970 63.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26932 ATOM 26928 HW1 SOL 8452 34.110 40.510 62.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26933 ATOM 26929 HW2 SOL 8452 34.280 40.540 63.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26934 ATOM 26930 OW SOL 8453 48.310 54.760 56.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26935 ATOM 26931 HW1 SOL 8453 47.390 54.360 56.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26936 ATOM 26932 HW2 SOL 8453 48.560 55.020 55.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26937 ATOM 26933 OW SOL 8454 45.350 46.610 69.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26938 ATOM 26934 HW1 SOL 8454 45.610 46.890 68.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26939 ATOM 26935 HW2 SOL 8454 44.660 47.240 69.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26940 ATOM 26936 OW SOL 8455 46.890 46.750 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26941 ATOM 26937 HW1 SOL 8455 46.630 47.390 57.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26942 ATOM 26938 HW2 SOL 8455 47.880 46.820 58.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26943 ATOM 26939 OW SOL 8456 50.690 53.100 56.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26944 ATOM 26940 HW1 SOL 8456 49.810 53.530 57.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26945 ATOM 26941 HW2 SOL 8456 50.810 53.110 55.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26946 ATOM 26942 OW SOL 8457 41.520 48.220 70.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26947 ATOM 26943 HW1 SOL 8457 42.390 48.570 70.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26948 ATOM 26944 HW2 SOL 8457 41.200 47.470 70.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26949 ATOM 26945 OW SOL 8458 52.220 49.650 68.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26950 ATOM 26946 HW1 SOL 8458 52.780 49.430 69.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26951 ATOM 26947 HW2 SOL 8458 51.660 50.450 68.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26952 ATOM 26948 OW SOL 8459 47.420 47.810 63.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26953 ATOM 26949 HW1 SOL 8459 46.810 47.330 63.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26954 ATOM 26950 HW2 SOL 8459 48.370 47.590 63.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26955 ATOM 26951 OW SOL 8460 48.100 38.300 64.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26956 ATOM 26952 HW1 SOL 8460 47.600 37.710 64.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26957 ATOM 26953 HW2 SOL 8460 47.770 38.130 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26958 ATOM 26954 OW SOL 8461 43.000 49.870 61.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26959 ATOM 26955 HW1 SOL 8461 43.720 49.470 60.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26960 ATOM 26956 HW2 SOL 8461 42.130 49.430 61.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26961 ATOM 26957 OW SOL 8462 54.960 45.370 72.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26962 ATOM 26958 HW1 SOL 8462 54.230 44.690 72.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26963 ATOM 26959 HW2 SOL 8462 54.730 46.050 71.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26964 ATOM 26960 OW SOL 8463 37.680 49.830 59.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26965 ATOM 26961 HW1 SOL 8463 36.990 49.720 58.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26966 ATOM 26962 HW2 SOL 8463 37.250 50.150 60.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26967 ATOM 26963 OW SOL 8464 38.720 44.950 70.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26968 ATOM 26964 HW1 SOL 8464 37.790 44.990 70.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26969 ATOM 26965 HW2 SOL 8464 38.740 45.260 71.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26970 ATOM 26966 OW SOL 8465 44.850 36.770 70.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26971 ATOM 26967 HW1 SOL 8465 45.160 37.620 69.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26972 ATOM 26968 HW2 SOL 8465 45.640 36.290 70.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26973 ATOM 26969 OW SOL 8466 38.550 39.130 54.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26974 ATOM 26970 HW1 SOL 8466 37.770 39.750 54.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26975 ATOM 26971 HW2 SOL 8466 39.380 39.630 54.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26976 ATOM 26972 OW SOL 8467 50.620 45.880 69.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26977 ATOM 26973 HW1 SOL 8467 50.190 45.740 68.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26978 ATOM 26974 HW2 SOL 8467 51.610 45.730 69.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26979 ATOM 26975 OW SOL 8468 37.880 38.990 57.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26980 ATOM 26976 HW1 SOL 8468 38.140 39.200 56.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26981 ATOM 26977 HW2 SOL 8468 38.430 39.540 58.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26982 ATOM 26978 OW SOL 8469 47.690 51.640 57.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26983 ATOM 26979 HW1 SOL 8469 46.850 51.100 57.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26984 ATOM 26980 HW2 SOL 8469 48.400 51.140 57.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26985 ATOM 26981 OW SOL 8470 44.130 44.200 69.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26986 ATOM 26982 HW1 SOL 8470 44.400 45.160 69.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26987 ATOM 26983 HW2 SOL 8470 44.950 43.630 69.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26988 ATOM 26984 OW SOL 8471 51.780 53.970 64.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26989 ATOM 26985 HW1 SOL 8471 52.300 54.440 65.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26990 ATOM 26986 HW2 SOL 8471 51.930 54.420 63.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26991 ATOM 26987 OW SOL 8472 46.810 40.280 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26992 ATOM 26988 HW1 SOL 8472 46.790 41.080 71.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26993 ATOM 26989 HW2 SOL 8472 47.720 39.890 70.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26994 ATOM 26990 OW SOL 8473 39.220 51.410 70.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26995 ATOM 26991 HW1 SOL 8473 38.940 52.360 70.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26996 ATOM 26992 HW2 SOL 8473 39.890 51.160 70.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26997 ATOM 26993 OW SOL 8474 53.540 44.520 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26998 ATOM 26994 HW1 SOL 8474 54.260 44.020 66.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
26999 ATOM 26995 HW2 SOL 8474 53.240 45.300 66.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27000 ATOM 26996 OW SOL 8475 48.650 39.100 58.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27001 ATOM 26997 HW1 SOL 8475 49.420 38.470 58.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27002 ATOM 26998 HW2 SOL 8475 48.740 39.800 59.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27003 ATOM 26999 OW SOL 8476 44.600 42.170 60.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27004 ATOM 27000 HW1 SOL 8476 44.850 42.980 60.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27005 ATOM 27001 HW2 SOL 8476 43.690 41.860 60.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27006 ATOM 27002 OW SOL 8477 53.200 45.650 69.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27007 ATOM 27003 HW1 SOL 8477 54.090 46.050 69.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27008 ATOM 27004 HW2 SOL 8477 53.160 45.300 68.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27009 ATOM 27005 OW SOL 8478 45.420 50.350 57.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27010 ATOM 27006 HW1 SOL 8478 45.740 50.320 58.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27011 ATOM 27007 HW2 SOL 8478 44.550 50.840 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27012 ATOM 27008 OW SOL 8479 43.360 54.260 65.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27013 ATOM 27009 HW1 SOL 8479 43.470 54.820 66.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27014 ATOM 27010 HW2 SOL 8479 43.820 54.690 65.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27015 ATOM 27011 OW SOL 8480 44.360 44.540 64.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27016 ATOM 27012 HW1 SOL 8480 45.120 44.460 65.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27017 ATOM 27013 HW2 SOL 8480 44.080 45.500 64.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27018 ATOM 27014 OW SOL 8481 48.970 48.500 55.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27019 ATOM 27015 HW1 SOL 8481 47.990 48.310 55.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27020 ATOM 27016 HW2 SOL 8481 49.330 48.770 54.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27021 ATOM 27017 OW SOL 8482 56.010 51.790 63.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27022 ATOM 27018 HW1 SOL 8482 55.180 51.410 63.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27023 ATOM 27019 HW2 SOL 8482 56.660 51.050 62.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27024 ATOM 27020 OW SOL 8483 38.460 48.510 63.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27025 ATOM 27021 HW1 SOL 8483 37.480 48.370 63.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27026 ATOM 27022 HW2 SOL 8483 38.830 49.000 64.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27027 ATOM 27023 OW SOL 8484 44.630 52.420 0.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27028 ATOM 27024 HW1 SOL 8484 44.620 53.420 0.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27029 ATOM 27025 HW2 SOL 8484 44.260 52.140 -0.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27030 ATOM 27026 OW SOL 8485 52.700 39.620 67.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27031 ATOM 27027 HW1 SOL 8485 53.310 39.970 68.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27032 ATOM 27028 HW2 SOL 8485 53.240 39.400 66.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27033 ATOM 27029 OW SOL 8486 40.230 39.680 61.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27034 ATOM 27030 HW1 SOL 8486 40.610 38.990 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27035 ATOM 27031 HW2 SOL 8486 39.300 39.910 61.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27036 ATOM 27032 OW SOL 8487 53.740 49.320 66.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27037 ATOM 27033 HW1 SOL 8487 53.710 50.010 65.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27038 ATOM 27034 HW2 SOL 8487 53.060 49.540 66.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27039 ATOM 27035 OW SOL 8488 40.250 39.600 68.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27040 ATOM 27036 HW1 SOL 8488 40.450 39.020 68.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27041 ATOM 27037 HW2 SOL 8488 39.860 39.040 67.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27042 ATOM 27038 OW SOL 8489 43.370 52.640 62.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27043 ATOM 27039 HW1 SOL 8489 43.790 52.640 63.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27044 ATOM 27040 HW2 SOL 8489 43.040 51.720 62.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27045 ATOM 27041 OW SOL 8490 50.270 38.160 67.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27046 ATOM 27042 HW1 SOL 8490 51.060 38.770 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27047 ATOM 27043 HW2 SOL 8490 50.510 37.280 67.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27048 ATOM 27044 OW SOL 8491 47.630 36.310 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27049 ATOM 27045 HW1 SOL 8491 47.520 35.630 66.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27050 ATOM 27046 HW2 SOL 8491 48.510 36.180 67.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27051 ATOM 27047 OW SOL 8492 45.150 48.670 60.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27052 ATOM 27048 HW1 SOL 8492 45.570 47.790 60.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27053 ATOM 27049 HW2 SOL 8492 45.840 49.390 60.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27054 ATOM 27050 OW SOL 8493 43.830 51.640 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27055 ATOM 27051 HW1 SOL 8493 43.070 52.240 70.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27056 ATOM 27052 HW2 SOL 8493 44.500 51.620 69.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27057 ATOM 27053 OW SOL 8494 49.970 36.030 56.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27058 ATOM 27054 HW1 SOL 8494 50.470 35.170 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27059 ATOM 27055 HW2 SOL 8494 49.250 35.950 57.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27060 ATOM 27056 OW SOL 8495 49.390 41.120 60.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27061 ATOM 27057 HW1 SOL 8495 49.870 41.980 60.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27062 ATOM 27058 HW2 SOL 8495 48.440 41.200 60.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27063 ATOM 27059 OW SOL 8496 50.850 37.480 64.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27064 ATOM 27060 HW1 SOL 8496 49.890 37.620 64.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27065 ATOM 27061 HW2 SOL 8496 50.880 37.010 63.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27066 ATOM 27062 OW SOL 8497 40.180 47.260 59.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27067 ATOM 27063 HW1 SOL 8497 40.750 46.620 59.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27068 ATOM 27064 HW2 SOL 8497 39.270 46.870 59.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27069 ATOM 27065 OW SOL 8498 44.780 53.360 59.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27070 ATOM 27066 HW1 SOL 8498 44.280 53.020 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27071 ATOM 27067 HW2 SOL 8498 44.490 54.290 60.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27072 ATOM 27068 OW SOL 8499 37.920 59.080 0.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27073 ATOM 27069 HW1 SOL 8499 37.860 58.360 1.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27074 ATOM 27070 HW2 SOL 8499 38.800 59.550 0.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27075 ATOM 27071 OW SOL 8500 37.720 58.940 9.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27076 ATOM 27072 HW1 SOL 8500 38.020 58.720 10.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27077 ATOM 27073 HW2 SOL 8500 37.300 58.130 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27078 ATOM 27074 OW SOL 8501 37.280 57.510 5.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27079 ATOM 27075 HW1 SOL 8501 36.640 58.220 6.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27080 ATOM 27076 HW2 SOL 8501 36.840 56.620 5.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27081 ATOM 27077 OW SOL 8502 42.410 66.180 12.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27082 ATOM 27078 HW1 SOL 8502 42.180 66.280 11.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27083 ATOM 27079 HW2 SOL 8502 41.870 66.830 12.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27084 ATOM 27080 OW SOL 8503 49.740 71.880 6.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27085 ATOM 27081 HW1 SOL 8503 49.840 71.540 7.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27086 ATOM 27082 HW2 SOL 8503 48.780 71.860 6.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27087 ATOM 27083 OW SOL 8504 48.730 64.200 5.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27088 ATOM 27084 HW1 SOL 8504 49.240 65.030 5.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27089 ATOM 27085 HW2 SOL 8504 49.020 63.860 6.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27090 ATOM 27086 OW SOL 8505 54.270 62.780 1.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27091 ATOM 27087 HW1 SOL 8505 54.230 62.640 0.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27092 ATOM 27088 HW2 SOL 8505 53.430 62.440 2.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27093 ATOM 27089 OW SOL 8506 41.840 66.600 9.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27094 ATOM 27090 HW1 SOL 8506 41.080 67.210 9.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27095 ATOM 27091 HW2 SOL 8506 42.510 67.120 8.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27096 ATOM 27092 OW SOL 8507 45.540 63.040 17.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27097 ATOM 27093 HW1 SOL 8507 45.990 63.720 18.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27098 ATOM 27094 HW2 SOL 8507 45.580 63.310 16.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27099 ATOM 27095 OW SOL 8508 42.640 65.520 5.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27100 ATOM 27096 HW1 SOL 8508 42.750 65.170 6.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27101 ATOM 27097 HW2 SOL 8508 41.850 66.120 5.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27102 ATOM 27098 OW SOL 8509 43.270 66.240 21.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27103 ATOM 27099 HW1 SOL 8509 43.530 67.110 21.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27104 ATOM 27100 HW2 SOL 8509 44.090 65.740 21.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27105 ATOM 27101 OW SOL 8510 39.660 68.220 10.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27106 ATOM 27102 HW1 SOL 8510 38.890 67.730 10.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27107 ATOM 27103 HW2 SOL 8510 39.350 68.690 9.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27108 ATOM 27104 OW SOL 8511 51.540 69.570 13.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27109 ATOM 27105 HW1 SOL 8511 52.040 70.420 13.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27110 ATOM 27106 HW2 SOL 8511 52.090 68.790 13.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27111 ATOM 27107 OW SOL 8512 41.330 58.690 13.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27112 ATOM 27108 HW1 SOL 8512 42.110 58.060 13.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27113 ATOM 27109 HW2 SOL 8512 40.520 58.220 14.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27114 ATOM 27110 OW SOL 8513 52.640 60.260 6.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27115 ATOM 27111 HW1 SOL 8513 52.730 61.120 6.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27116 ATOM 27112 HW2 SOL 8513 52.600 60.430 7.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27117 ATOM 27113 OW SOL 8514 47.160 69.850 16.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27118 ATOM 27114 HW1 SOL 8514 47.860 69.640 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27119 ATOM 27115 HW2 SOL 8514 46.450 69.150 16.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27120 ATOM 27116 OW SOL 8515 36.170 1.270 4.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27121 ATOM 27117 HW1 SOL 8515 36.940 1.640 4.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27122 ATOM 27118 HW2 SOL 8515 35.880 1.920 3.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27123 ATOM 27119 OW SOL 8516 38.920 64.530 5.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27124 ATOM 27120 HW1 SOL 8516 39.250 63.590 4.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27125 ATOM 27121 HW2 SOL 8516 38.270 64.610 5.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27126 ATOM 27122 OW SOL 8517 44.670 62.200 0.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27127 ATOM 27123 HW1 SOL 8517 45.050 61.660 -0.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27128 ATOM 27124 HW2 SOL 8517 45.300 62.180 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27129 ATOM 27125 OW SOL 8518 49.850 57.080 10.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27130 ATOM 27126 HW1 SOL 8518 50.110 56.250 11.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27131 ATOM 27127 HW2 SOL 8518 50.250 57.870 10.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27132 ATOM 27128 OW SOL 8519 36.760 61.540 5.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27133 ATOM 27129 HW1 SOL 8519 36.510 60.690 5.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27134 ATOM 27130 HW2 SOL 8519 36.390 62.320 5.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27135 ATOM 27131 OW SOL 8520 37.010 71.530 2.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27136 ATOM 27132 HW1 SOL 8520 37.900 71.890 2.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27137 ATOM 27133 HW2 SOL 8520 36.290 72.010 2.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27138 ATOM 27134 OW SOL 8521 57.690 64.910 5.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27139 ATOM 27135 HW1 SOL 8521 58.620 64.870 5.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27140 ATOM 27136 HW2 SOL 8521 57.120 64.240 5.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27141 ATOM 27137 OW SOL 8522 51.970 67.020 3.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27142 ATOM 27138 HW1 SOL 8522 52.880 66.640 3.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27143 ATOM 27139 HW2 SOL 8522 52.040 67.880 3.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27144 ATOM 27140 OW SOL 8523 36.040 62.840 13.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27145 ATOM 27141 HW1 SOL 8523 36.480 63.690 13.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27146 ATOM 27142 HW2 SOL 8523 36.050 62.810 14.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27147 ATOM 27143 OW SOL 8524 41.960 68.830 5.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27148 ATOM 27144 HW1 SOL 8524 41.460 68.090 5.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27149 ATOM 27145 HW2 SOL 8524 41.450 69.690 5.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27150 ATOM 27146 OW SOL 8525 46.780 65.750 16.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27151 ATOM 27147 HW1 SOL 8525 46.340 65.010 15.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27152 ATOM 27148 HW2 SOL 8525 47.640 65.990 15.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27153 ATOM 27149 OW SOL 8526 44.270 57.720 6.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27154 ATOM 27150 HW1 SOL 8526 44.750 57.420 5.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27155 ATOM 27151 HW2 SOL 8526 43.670 58.490 6.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27156 ATOM 27152 OW SOL 8527 38.040 64.760 13.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27157 ATOM 27153 HW1 SOL 8527 38.840 64.180 13.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27158 ATOM 27154 HW2 SOL 8527 38.170 65.320 12.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27159 ATOM 27155 OW SOL 8528 50.300 66.480 1.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27160 ATOM 27156 HW1 SOL 8528 50.570 66.200 0.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27161 ATOM 27157 HW2 SOL 8528 51.100 66.500 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27162 ATOM 27158 OW SOL 8529 41.190 58.140 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27163 ATOM 27159 HW1 SOL 8529 41.330 58.610 18.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27164 ATOM 27160 HW2 SOL 8529 40.390 58.520 16.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27165 ATOM 27161 OW SOL 8530 50.580 70.530 9.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27166 ATOM 27162 HW1 SOL 8530 50.910 69.600 9.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27167 ATOM 27163 HW2 SOL 8530 49.780 70.510 9.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27168 ATOM 27164 OW SOL 8531 42.930 60.080 1.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27169 ATOM 27165 HW1 SOL 8531 43.580 60.830 0.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27170 ATOM 27166 HW2 SOL 8531 42.040 60.330 0.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27171 ATOM 27167 OW SOL 8532 49.000 60.630 8.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27172 ATOM 27168 HW1 SOL 8532 48.050 60.740 9.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27173 ATOM 27169 HW2 SOL 8532 49.130 59.720 8.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27174 ATOM 27170 OW SOL 8533 53.150 70.800 2.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27175 ATOM 27171 HW1 SOL 8533 54.140 70.890 2.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27176 ATOM 27172 HW2 SOL 8533 52.770 70.370 3.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27177 ATOM 27173 OW SOL 8534 43.020 60.230 15.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27178 ATOM 27174 HW1 SOL 8534 43.050 59.960 16.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27179 ATOM 27175 HW2 SOL 8534 42.240 59.800 14.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27180 ATOM 27176 OW SOL 8535 50.270 61.180 15.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27181 ATOM 27177 HW1 SOL 8535 50.160 60.860 16.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27182 ATOM 27178 HW2 SOL 8535 50.920 60.590 15.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27183 ATOM 27179 OW SOL 8536 45.590 63.800 14.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27184 ATOM 27180 HW1 SOL 8536 45.770 62.850 14.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27185 ATOM 27181 HW2 SOL 8536 45.820 64.400 14.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27186 ATOM 27182 OW SOL 8537 46.470 59.960 9.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27187 ATOM 27183 HW1 SOL 8537 45.480 60.120 9.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27188 ATOM 27184 HW2 SOL 8537 46.680 59.050 9.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27189 ATOM 27185 OW SOL 8538 45.400 61.870 3.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27190 ATOM 27186 HW1 SOL 8538 45.180 61.130 3.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27191 ATOM 27187 HW2 SOL 8538 44.790 62.650 3.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27192 ATOM 27188 OW SOL 8539 37.090 64.860 7.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27193 ATOM 27189 HW1 SOL 8539 37.340 64.090 8.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27194 ATOM 27190 HW2 SOL 8539 36.610 65.550 7.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27195 ATOM 27191 OW SOL 8540 37.920 0.430 15.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27196 ATOM 27192 HW1 SOL 8540 37.200 0.680 14.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27197 ATOM 27193 HW2 SOL 8540 38.260 -0.480 15.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27198 ATOM 27194 OW SOL 8541 45.220 57.140 1.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27199 ATOM 27195 HW1 SOL 8541 45.570 57.920 0.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27200 ATOM 27196 HW2 SOL 8541 45.170 56.340 0.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27201 ATOM 27197 OW SOL 8542 53.460 61.470 15.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27202 ATOM 27198 HW1 SOL 8542 53.080 62.370 15.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27203 ATOM 27199 HW2 SOL 8542 53.070 60.800 15.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27204 ATOM 27200 OW SOL 8543 49.450 66.850 4.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27205 ATOM 27201 HW1 SOL 8543 50.170 66.750 4.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27206 ATOM 27202 HW2 SOL 8543 48.740 67.470 4.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27207 ATOM 27203 OW SOL 8544 43.530 56.410 9.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27208 ATOM 27204 HW1 SOL 8544 43.300 56.960 9.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27209 ATOM 27205 HW2 SOL 8544 43.470 56.970 8.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27210 ATOM 27206 OW SOL 8545 46.020 70.810 4.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27211 ATOM 27207 HW1 SOL 8545 45.260 70.830 4.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27212 ATOM 27208 HW2 SOL 8545 46.470 71.700 4.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27213 ATOM 27209 OW SOL 8546 39.820 71.180 6.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27214 ATOM 27210 HW1 SOL 8546 39.110 70.790 5.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27215 ATOM 27211 HW2 SOL 8546 40.180 72.010 5.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27216 ATOM 27212 OW SOL 8547 52.990 66.180 8.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27217 ATOM 27213 HW1 SOL 8547 53.490 66.780 7.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27218 ATOM 27214 HW2 SOL 8547 52.180 66.660 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27219 ATOM 27215 OW SOL 8548 49.020 68.480 14.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27220 ATOM 27216 HW1 SOL 8548 48.260 68.890 14.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27221 ATOM 27217 HW2 SOL 8548 49.830 69.070 14.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27222 ATOM 27218 OW SOL 8549 40.610 64.750 0.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27223 ATOM 27219 HW1 SOL 8549 41.530 64.430 0.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27224 ATOM 27220 HW2 SOL 8549 39.940 64.090 0.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27225 ATOM 27221 OW SOL 8550 52.390 61.310 9.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27226 ATOM 27222 HW1 SOL 8550 52.330 60.590 10.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27227 ATOM 27223 HW2 SOL 8550 52.800 62.120 10.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27228 ATOM 27224 OW SOL 8551 42.920 66.350 16.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27229 ATOM 27225 HW1 SOL 8551 42.890 65.840 15.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27230 ATOM 27226 HW2 SOL 8551 42.130 66.120 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27231 ATOM 27227 OW SOL 8552 39.350 56.620 14.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27232 ATOM 27228 HW1 SOL 8552 38.870 56.110 14.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27233 ATOM 27229 HW2 SOL 8552 40.210 56.160 13.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27234 ATOM 27230 OW SOL 8553 54.620 69.360 71.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27235 ATOM 27231 HW1 SOL 8553 55.050 69.880 71.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27236 ATOM 27232 HW2 SOL 8553 53.660 69.610 71.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27237 ATOM 27233 OW SOL 8554 49.650 57.920 2.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27238 ATOM 27234 HW1 SOL 8554 49.630 56.940 3.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27239 ATOM 27235 HW2 SOL 8554 50.600 58.240 2.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27240 ATOM 27236 OW SOL 8555 39.350 61.950 4.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27241 ATOM 27237 HW1 SOL 8555 39.150 62.110 3.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27242 ATOM 27238 HW2 SOL 8555 38.550 61.540 4.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27243 ATOM 27239 OW SOL 8556 51.320 57.130 16.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27244 ATOM 27240 HW1 SOL 8556 50.870 57.440 17.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27245 ATOM 27241 HW2 SOL 8556 50.790 56.390 15.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27246 ATOM 27242 OW SOL 8557 42.230 53.640 2.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27247 ATOM 27243 HW1 SOL 8557 42.130 53.970 3.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27248 ATOM 27244 HW2 SOL 8557 42.560 52.700 2.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27249 ATOM 27245 OW SOL 8558 44.660 57.330 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27250 ATOM 27246 HW1 SOL 8558 45.460 56.760 16.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27251 ATOM 27247 HW2 SOL 8558 43.970 57.170 17.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27252 ATOM 27248 OW SOL 8559 43.010 69.680 10.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27253 ATOM 27249 HW1 SOL 8559 43.270 68.980 9.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27254 ATOM 27250 HW2 SOL 8559 43.260 69.380 11.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27255 ATOM 27251 OW SOL 8560 49.110 61.530 13.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27256 ATOM 27252 HW1 SOL 8560 49.640 61.610 13.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27257 ATOM 27253 HW2 SOL 8560 49.180 62.380 12.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27258 ATOM 27254 OW SOL 8561 43.670 68.180 8.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27259 ATOM 27255 HW1 SOL 8561 44.620 67.940 7.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27260 ATOM 27256 HW2 SOL 8561 43.220 68.440 7.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27261 ATOM 27257 OW SOL 8562 45.290 61.480 6.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27262 ATOM 27258 HW1 SOL 8562 44.570 61.340 6.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27263 ATOM 27259 HW2 SOL 8562 46.150 61.680 6.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27264 ATOM 27260 OW SOL 8563 41.620 56.420 4.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27265 ATOM 27261 HW1 SOL 8563 40.950 56.670 4.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27266 ATOM 27262 HW2 SOL 8563 42.020 57.260 3.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27267 ATOM 27263 OW SOL 8564 49.720 69.110 0.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27268 ATOM 27264 HW1 SOL 8564 49.880 68.150 0.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27269 ATOM 27265 HW2 SOL 8564 48.740 69.290 0.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27270 ATOM 27266 OW SOL 8565 38.380 53.850 2.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27271 ATOM 27267 HW1 SOL 8565 39.100 54.500 1.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27272 ATOM 27268 HW2 SOL 8565 38.660 52.930 1.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27273 ATOM 27269 OW SOL 8566 45.730 56.980 4.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27274 ATOM 27270 HW1 SOL 8566 45.570 56.950 3.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27275 ATOM 27271 HW2 SOL 8566 46.410 57.690 4.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27276 ATOM 27272 OW SOL 8567 45.130 61.260 13.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27277 ATOM 27273 HW1 SOL 8567 44.400 60.680 14.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27278 ATOM 27274 HW2 SOL 8567 45.850 60.690 13.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27279 ATOM 27275 OW SOL 8568 47.100 0.650 5.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27280 ATOM 27276 HW1 SOL 8568 46.280 0.890 6.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27281 ATOM 27277 HW2 SOL 8568 47.690 1.460 5.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27282 ATOM 27278 OW SOL 8569 40.520 66.970 4.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27283 ATOM 27279 HW1 SOL 8569 40.000 66.230 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27284 ATOM 27280 HW2 SOL 8569 40.160 67.140 3.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27285 ATOM 27281 OW SOL 8570 46.340 60.150 71.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27286 ATOM 27282 HW1 SOL 8570 47.100 60.200 70.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27287 ATOM 27283 HW2 SOL 8570 46.650 59.760 72.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27288 ATOM 27284 OW SOL 8571 37.020 60.530 12.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27289 ATOM 27285 HW1 SOL 8571 38.010 60.470 12.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27290 ATOM 27286 HW2 SOL 8571 36.720 61.480 12.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27291 ATOM 27287 OW SOL 8572 43.010 58.040 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27292 ATOM 27288 HW1 SOL 8572 43.180 58.430 12.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27293 ATOM 27289 HW2 SOL 8572 42.280 57.350 11.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27294 ATOM 27290 OW SOL 8573 43.230 60.330 4.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27295 ATOM 27291 HW1 SOL 8573 42.730 61.150 4.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27296 ATOM 27292 HW2 SOL 8573 43.190 59.650 4.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27297 ATOM 27293 OW SOL 8574 48.760 54.800 6.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27298 ATOM 27294 HW1 SOL 8574 47.880 55.170 6.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27299 ATOM 27295 HW2 SOL 8574 49.280 54.490 7.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27300 ATOM 27296 OW SOL 8575 49.930 68.400 7.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27301 ATOM 27297 HW1 SOL 8575 49.100 68.950 7.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27302 ATOM 27298 HW2 SOL 8575 50.110 67.940 6.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27303 ATOM 27299 OW SOL 8576 50.490 59.980 11.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27304 ATOM 27300 HW1 SOL 8576 50.050 60.400 10.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27305 ATOM 27301 HW2 SOL 8576 50.120 60.370 12.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27306 ATOM 27302 OW SOL 8577 56.500 63.650 2.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27307 ATOM 27303 HW1 SOL 8577 57.090 62.840 2.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27308 ATOM 27304 HW2 SOL 8577 55.590 63.400 2.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27309 ATOM 27305 OW SOL 8578 40.400 69.710 1.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27310 ATOM 27306 HW1 SOL 8578 40.010 68.920 1.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27311 ATOM 27307 HW2 SOL 8578 40.490 69.490 0.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27312 ATOM 27308 OW SOL 8579 51.950 69.630 4.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27313 ATOM 27309 HW1 SOL 8579 52.070 70.060 5.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27314 ATOM 27310 HW2 SOL 8579 51.060 69.870 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27315 ATOM 27311 OW SOL 8580 50.110 63.200 0.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27316 ATOM 27312 HW1 SOL 8580 49.420 62.510 0.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27317 ATOM 27313 HW2 SOL 8580 50.640 62.930 1.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27318 ATOM 27314 OW SOL 8581 40.150 55.690 1.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27319 ATOM 27315 HW1 SOL 8581 40.980 55.180 1.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27320 ATOM 27316 HW2 SOL 8581 40.150 55.910 0.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27321 ATOM 27317 OW SOL 8582 53.350 67.510 14.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27322 ATOM 27318 HW1 SOL 8582 53.020 67.880 15.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27323 ATOM 27319 HW2 SOL 8582 54.350 67.590 14.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27324 ATOM 27320 OW SOL 8583 46.570 67.480 11.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27325 ATOM 27321 HW1 SOL 8583 46.010 68.190 11.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27326 ATOM 27322 HW2 SOL 8583 46.430 66.610 11.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27327 ATOM 27323 OW SOL 8584 53.590 71.340 15.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27328 ATOM 27324 HW1 SOL 8584 53.150 71.760 14.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27329 ATOM 27325 HW2 SOL 8584 54.380 70.800 15.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27330 ATOM 27326 OW SOL 8585 47.180 69.500 9.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27331 ATOM 27327 HW1 SOL 8585 47.000 68.630 10.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27332 ATOM 27328 HW2 SOL 8585 47.010 69.400 8.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27333 ATOM 27329 OW SOL 8586 50.910 67.290 9.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27334 ATOM 27330 HW1 SOL 8586 50.310 67.520 10.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27335 ATOM 27331 HW2 SOL 8586 50.560 67.720 8.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27336 ATOM 27332 OW SOL 8587 45.740 55.800 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27337 ATOM 27333 HW1 SOL 8587 46.070 55.660 12.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27338 ATOM 27334 HW2 SOL 8587 46.370 56.400 13.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27339 ATOM 27335 OW SOL 8588 45.110 67.950 16.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27340 ATOM 27336 HW1 SOL 8588 44.290 67.440 16.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27341 ATOM 27337 HW2 SOL 8588 45.820 67.300 16.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27342 ATOM 27338 OW SOL 8589 44.290 64.560 3.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27343 ATOM 27339 HW1 SOL 8589 43.740 65.090 4.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27344 ATOM 27340 HW2 SOL 8589 45.240 64.550 3.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27345 ATOM 27341 OW SOL 8590 40.130 63.070 13.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27346 ATOM 27342 HW1 SOL 8590 41.100 63.090 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27347 ATOM 27343 HW2 SOL 8590 39.790 62.130 13.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27348 ATOM 27344 OW SOL 8591 47.050 59.870 12.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27349 ATOM 27345 HW1 SOL 8591 47.890 60.420 12.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27350 ATOM 27346 HW2 SOL 8591 46.850 59.650 11.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27351 ATOM 27347 OW SOL 8592 38.210 72.550 9.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27352 ATOM 27348 HW1 SOL 8592 37.530 72.110 10.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27353 ATOM 27349 HW2 SOL 8592 38.780 71.850 9.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27354 ATOM 27350 OW SOL 8593 39.140 67.570 2.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27355 ATOM 27351 HW1 SOL 8593 38.210 67.910 1.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27356 ATOM 27352 HW2 SOL 8593 39.560 67.450 1.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27357 ATOM 27353 OW SOL 8594 40.540 59.710 5.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27358 ATOM 27354 HW1 SOL 8594 40.080 60.440 4.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27359 ATOM 27355 HW2 SOL 8594 41.530 59.870 5.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27360 ATOM 27356 OW SOL 8595 47.910 69.240 3.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27361 ATOM 27357 HW1 SOL 8595 48.710 69.740 3.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27362 ATOM 27358 HW2 SOL 8595 47.340 69.850 4.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27363 ATOM 27359 OW SOL 8596 49.470 67.830 11.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27364 ATOM 27360 HW1 SOL 8596 49.730 68.590 12.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27365 ATOM 27361 HW2 SOL 8596 48.470 67.790 11.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27366 ATOM 27362 OW SOL 8597 53.140 63.370 4.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27367 ATOM 27363 HW1 SOL 8597 52.800 63.450 5.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27368 ATOM 27364 HW2 SOL 8597 53.430 64.270 4.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27369 ATOM 27365 OW SOL 8598 40.720 69.840 12.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27370 ATOM 27366 HW1 SOL 8598 40.450 69.470 11.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27371 ATOM 27367 HW2 SOL 8598 41.340 70.610 12.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27372 ATOM 27368 OW SOL 8599 41.550 62.820 16.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27373 ATOM 27369 HW1 SOL 8599 41.920 62.940 15.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27374 ATOM 27370 HW2 SOL 8599 42.150 62.220 17.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27375 ATOM 27371 OW SOL 8600 52.240 63.960 15.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27376 ATOM 27372 HW1 SOL 8600 51.310 64.140 15.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27377 ATOM 27373 HW2 SOL 8600 52.400 64.420 14.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27378 ATOM 27374 OW SOL 8601 47.070 56.070 17.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27379 ATOM 27375 HW1 SOL 8601 47.720 56.820 17.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27380 ATOM 27376 HW2 SOL 8601 47.550 55.200 17.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27381 ATOM 27377 OW SOL 8602 42.320 55.770 17.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27382 ATOM 27378 HW1 SOL 8602 41.820 54.980 17.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27383 ATOM 27379 HW2 SOL 8602 41.790 56.600 17.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27384 ATOM 27380 OW SOL 8603 39.990 63.900 10.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27385 ATOM 27381 HW1 SOL 8603 40.330 64.830 10.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27386 ATOM 27382 HW2 SOL 8603 40.020 63.690 11.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27387 ATOM 27383 OW SOL 8604 49.880 63.130 7.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27388 ATOM 27384 HW1 SOL 8604 49.570 62.300 8.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27389 ATOM 27385 HW2 SOL 8604 50.420 63.680 8.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27390 ATOM 27386 OW SOL 8605 47.290 59.180 1.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27391 ATOM 27387 HW1 SOL 8605 47.880 58.380 1.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27392 ATOM 27388 HW2 SOL 8605 47.340 59.640 1.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27393 ATOM 27389 OW SOL 8606 38.870 57.890 11.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27394 ATOM 27390 HW1 SOL 8606 38.450 57.740 12.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27395 ATOM 27391 HW2 SOL 8606 39.780 57.470 11.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27396 ATOM 27392 OW SOL 8607 37.160 69.090 13.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27397 ATOM 27393 HW1 SOL 8607 37.750 69.590 13.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27398 ATOM 27394 HW2 SOL 8607 36.250 68.980 13.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27399 ATOM 27395 OW SOL 8608 40.720 61.300 9.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27400 ATOM 27396 HW1 SOL 8608 39.910 61.080 8.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27401 ATOM 27397 HW2 SOL 8608 40.590 62.160 9.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27402 ATOM 27398 OW SOL 8609 54.200 64.960 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27403 ATOM 27399 HW1 SOL 8609 53.610 64.540 16.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27404 ATOM 27400 HW2 SOL 8609 54.210 64.400 17.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27405 ATOM 27401 OW SOL 8610 36.460 54.850 6.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27406 ATOM 27402 HW1 SOL 8610 35.740 54.950 6.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27407 ATOM 27403 HW2 SOL 8610 37.040 54.070 6.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27408 ATOM 27404 OW SOL 8611 51.910 61.770 2.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27409 ATOM 27405 HW1 SOL 8611 51.930 60.830 3.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27410 ATOM 27406 HW2 SOL 8611 52.340 62.380 3.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27411 ATOM 27407 OW SOL 8612 45.200 63.240 8.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27412 ATOM 27408 HW1 SOL 8612 44.910 62.970 9.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27413 ATOM 27409 HW2 SOL 8612 45.430 62.430 8.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27414 ATOM 27410 OW SOL 8613 47.180 0.160 17.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27415 ATOM 27411 HW1 SOL 8613 47.710 0.060 18.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27416 ATOM 27412 HW2 SOL 8613 46.760 -0.720 16.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27417 ATOM 27413 OW SOL 8614 56.120 70.800 14.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27418 ATOM 27414 HW1 SOL 8614 56.510 70.920 13.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27419 ATOM 27415 HW2 SOL 8614 56.560 70.030 15.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27420 ATOM 27416 OW SOL 8615 40.970 64.880 18.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27421 ATOM 27417 HW1 SOL 8615 41.000 64.590 19.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27422 ATOM 27418 HW2 SOL 8615 41.100 64.080 17.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27423 ATOM 27419 OW SOL 8616 51.720 60.510 72.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27424 ATOM 27420 HW1 SOL 8616 51.740 59.550 72.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27425 ATOM 27421 HW2 SOL 8616 51.580 61.080 73.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27426 ATOM 27422 OW SOL 8617 51.900 64.720 72.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27427 ATOM 27423 HW1 SOL 8617 51.240 64.290 72.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27428 ATOM 27424 HW2 SOL 8617 51.820 64.320 71.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27429 ATOM 27425 OW SOL 8618 46.920 69.190 7.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27430 ATOM 27426 HW1 SOL 8618 47.040 68.250 6.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27431 ATOM 27427 HW2 SOL 8618 46.300 69.670 6.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27432 ATOM 27428 OW SOL 8619 37.870 62.690 8.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27433 ATOM 27429 HW1 SOL 8619 38.640 63.210 9.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27434 ATOM 27430 HW2 SOL 8619 38.200 61.860 8.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27435 ATOM 27431 OW SOL 8620 38.770 60.610 7.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27436 ATOM 27432 HW1 SOL 8620 38.250 59.860 8.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27437 ATOM 27433 HW2 SOL 8620 39.510 60.220 7.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27438 ATOM 27434 OW SOL 8621 48.090 58.600 16.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27439 ATOM 27435 HW1 SOL 8621 47.230 59.000 17.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27440 ATOM 27436 HW2 SOL 8621 48.860 59.150 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27441 ATOM 27437 OW SOL 8622 47.520 57.760 14.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27442 ATOM 27438 HW1 SOL 8622 47.630 58.200 15.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27443 ATOM 27439 HW2 SOL 8622 47.510 58.460 13.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27444 ATOM 27440 OW SOL 8623 34.240 68.250 1.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27445 ATOM 27441 HW1 SOL 8623 33.400 68.800 1.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27446 ATOM 27442 HW2 SOL 8623 34.050 67.350 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27447 ATOM 27443 OW SOL 8624 39.810 70.640 8.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27448 ATOM 27444 HW1 SOL 8624 40.740 70.460 9.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27449 ATOM 27445 HW2 SOL 8624 39.790 70.570 7.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27450 ATOM 27446 OW SOL 8625 44.450 62.480 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27451 ATOM 27447 HW1 SOL 8625 45.010 62.100 12.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27452 ATOM 27448 HW2 SOL 8625 43.910 61.740 10.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27453 ATOM 27449 OW SOL 8626 35.850 60.920 9.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27454 ATOM 27450 HW1 SOL 8626 36.210 61.850 9.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27455 ATOM 27451 HW2 SOL 8626 36.600 60.270 9.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27456 ATOM 27452 OW SOL 8627 39.090 61.420 16.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27457 ATOM 27453 HW1 SOL 8627 39.920 61.970 16.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27458 ATOM 27454 HW2 SOL 8627 38.510 61.770 17.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27459 ATOM 27455 OW SOL 8628 49.170 63.850 15.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27460 ATOM 27456 HW1 SOL 8628 48.660 64.230 15.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27461 ATOM 27457 HW2 SOL 8628 49.530 62.950 15.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27462 ATOM 27458 OW SOL 8629 43.320 58.380 3.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27463 ATOM 27459 HW1 SOL 8629 43.930 57.690 2.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27464 ATOM 27460 HW2 SOL 8629 43.260 59.160 2.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27465 ATOM 27461 OW SOL 8630 53.960 63.490 10.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27466 ATOM 27462 HW1 SOL 8630 54.330 64.410 10.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27467 ATOM 27463 HW2 SOL 8630 54.700 62.850 10.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27468 ATOM 27464 OW SOL 8631 38.580 72.440 17.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27469 ATOM 27465 HW1 SOL 8631 38.170 72.890 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27470 ATOM 27466 HW2 SOL 8631 38.130 71.560 17.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27471 ATOM 27467 OW SOL 8632 43.610 60.350 9.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27472 ATOM 27468 HW1 SOL 8632 43.350 59.500 10.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27473 ATOM 27469 HW2 SOL 8632 42.790 60.770 9.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27474 ATOM 27470 OW SOL 8633 40.220 56.430 71.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27475 ATOM 27471 HW1 SOL 8633 41.010 57.000 71.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27476 ATOM 27472 HW2 SOL 8633 39.500 57.020 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27477 ATOM 27473 OW SOL 8634 37.210 65.530 15.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27478 ATOM 27474 HW1 SOL 8634 37.940 65.900 16.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27479 ATOM 27475 HW2 SOL 8634 37.490 65.560 14.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27480 ATOM 27476 OW SOL 8635 47.160 64.780 9.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27481 ATOM 27477 HW1 SOL 8635 46.470 64.260 9.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27482 ATOM 27478 HW2 SOL 8635 46.800 65.690 10.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27483 ATOM 27479 OW SOL 8636 47.290 63.110 1.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27484 ATOM 27480 HW1 SOL 8636 47.450 64.090 1.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27485 ATOM 27481 HW2 SOL 8636 46.840 62.740 2.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27486 ATOM 27482 OW SOL 8637 55.970 71.970 9.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27487 ATOM 27483 HW1 SOL 8637 56.630 72.260 8.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27488 ATOM 27484 HW2 SOL 8637 55.550 71.110 9.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27489 ATOM 27485 OW SOL 8638 49.750 72.210 11.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27490 ATOM 27486 HW1 SOL 8638 49.720 72.370 12.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27491 ATOM 27487 HW2 SOL 8638 50.570 72.630 11.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27492 ATOM 27488 OW SOL 8639 37.730 66.800 11.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27493 ATOM 27489 HW1 SOL 8639 37.290 67.450 12.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27494 ATOM 27490 HW2 SOL 8639 37.080 66.500 10.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27495 ATOM 27491 OW SOL 8640 45.920 55.080 71.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27496 ATOM 27492 HW1 SOL 8640 46.140 54.680 70.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27497 ATOM 27493 HW2 SOL 8640 46.670 54.900 72.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27498 ATOM 27494 OW SOL 8641 52.310 59.170 3.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27499 ATOM 27495 HW1 SOL 8641 52.890 59.170 2.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27500 ATOM 27496 HW2 SOL 8641 52.510 58.360 3.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27501 ATOM 27497 OW SOL 8642 50.050 70.460 2.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27502 ATOM 27498 HW1 SOL 8642 50.310 70.240 1.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27503 ATOM 27499 HW2 SOL 8642 50.350 71.390 3.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27504 ATOM 27500 OW SOL 8643 35.110 71.710 17.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27505 ATOM 27501 HW1 SOL 8643 36.010 71.330 18.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27506 ATOM 27502 HW2 SOL 8643 34.700 72.070 18.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27507 ATOM 27503 OW SOL 8644 52.490 63.570 7.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27508 ATOM 27504 HW1 SOL 8644 51.710 63.130 7.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27509 ATOM 27505 HW2 SOL 8644 52.670 64.450 7.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27510 ATOM 27506 OW SOL 8645 44.340 68.780 12.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27511 ATOM 27507 HW1 SOL 8645 44.600 69.460 13.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27512 ATOM 27508 HW2 SOL 8645 43.590 68.220 13.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27513 ATOM 27509 OW SOL 8646 42.920 70.050 0.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27514 ATOM 27510 HW1 SOL 8646 42.870 70.660 -0.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27515 ATOM 27511 HW2 SOL 8646 42.160 70.240 1.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27516 ATOM 27512 OW SOL 8647 52.780 56.280 8.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27517 ATOM 27513 HW1 SOL 8647 53.640 55.940 8.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27518 ATOM 27514 HW2 SOL 8647 52.170 56.580 7.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27519 ATOM 27515 OW SOL 8648 39.990 57.420 6.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27520 ATOM 27516 HW1 SOL 8648 39.010 57.250 6.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27521 ATOM 27517 HW2 SOL 8648 40.200 58.350 5.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27522 ATOM 27518 OW SOL 8649 47.250 71.670 72.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27523 ATOM 27519 HW1 SOL 8649 47.010 70.880 72.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27524 ATOM 27520 HW2 SOL 8649 47.620 71.370 71.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27525 ATOM 27521 OW SOL 8650 44.910 64.970 12.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27526 ATOM 27522 HW1 SOL 8650 44.720 64.180 11.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27527 ATOM 27523 HW2 SOL 8650 44.060 65.460 12.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27528 ATOM 27524 OW SOL 8651 46.830 65.350 4.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27529 ATOM 27525 HW1 SOL 8651 47.270 65.830 3.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27530 ATOM 27526 HW2 SOL 8651 47.520 64.870 4.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27531 ATOM 27527 OW SOL 8652 41.340 67.780 14.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27532 ATOM 27528 HW1 SOL 8652 41.020 68.440 13.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27533 ATOM 27529 HW2 SOL 8652 41.140 68.110 15.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27534 ATOM 27530 OW SOL 8653 53.250 69.670 11.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27535 ATOM 27531 HW1 SOL 8653 53.980 69.250 11.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27536 ATOM 27532 HW2 SOL 8653 52.390 69.650 11.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27537 ATOM 27533 OW SOL 8654 45.270 66.620 6.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27538 ATOM 27534 HW1 SOL 8654 44.400 66.140 6.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27539 ATOM 27535 HW2 SOL 8654 46.000 66.000 5.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27540 ATOM 27536 OW SOL 8655 46.500 57.300 8.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27541 ATOM 27537 HW1 SOL 8655 45.710 57.120 8.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27542 ATOM 27538 HW2 SOL 8655 46.380 56.800 9.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27543 ATOM 27539 OW SOL 8656 42.580 71.690 4.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27544 ATOM 27540 HW1 SOL 8656 43.180 71.170 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27545 ATOM 27541 HW2 SOL 8656 42.180 72.450 4.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27546 ATOM 27542 OW SOL 8657 53.820 58.630 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27547 ATOM 27543 HW1 SOL 8657 54.530 59.300 13.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27548 ATOM 27544 HW2 SOL 8657 53.980 58.290 11.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27549 ATOM 27545 OW SOL 8658 36.590 68.750 2.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27550 ATOM 27546 HW1 SOL 8658 35.690 68.610 2.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27551 ATOM 27547 HW2 SOL 8658 36.830 69.720 2.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27552 ATOM 27548 OW SOL 8659 38.910 66.580 17.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27553 ATOM 27549 HW1 SOL 8659 38.580 66.810 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27554 ATOM 27550 HW2 SOL 8659 39.580 65.840 17.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27555 ATOM 27551 OW SOL 8660 43.720 57.220 14.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27556 ATOM 27552 HW1 SOL 8660 44.390 56.680 13.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27557 ATOM 27553 HW2 SOL 8660 44.110 57.520 14.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27558 ATOM 27554 OW SOL 8661 36.720 57.140 71.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27559 ATOM 27555 HW1 SOL 8661 36.560 57.570 70.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27560 ATOM 27556 HW2 SOL 8661 37.060 57.830 72.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27561 ATOM 27557 OW SOL 8662 49.030 63.850 11.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27562 ATOM 27558 HW1 SOL 8662 48.250 64.240 11.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27563 ATOM 27559 HW2 SOL 8662 49.820 63.800 11.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27564 ATOM 27560 OW SOL 8663 36.570 54.560 72.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27565 ATOM 27561 HW1 SOL 8663 36.600 55.530 72.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27566 ATOM 27562 HW2 SOL 8663 37.110 54.420 73.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27567 ATOM 27563 OW SOL 8664 47.140 69.460 1.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27568 ATOM 27564 HW1 SOL 8664 46.500 68.750 0.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27569 ATOM 27565 HW2 SOL 8664 47.300 69.370 2.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27570 ATOM 27566 OW SOL 8665 42.590 62.900 13.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27571 ATOM 27567 HW1 SOL 8665 43.290 63.510 13.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27572 ATOM 27568 HW2 SOL 8665 42.970 61.980 13.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27573 ATOM 27569 OW SOL 8666 52.070 0.070 9.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27574 ATOM 27570 HW1 SOL 8666 51.890 0.680 8.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27575 ATOM 27571 HW2 SOL 8666 51.610 -0.810 9.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27576 ATOM 27572 OW SOL 8667 43.370 61.290 18.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27577 ATOM 27573 HW1 SOL 8667 44.080 61.970 17.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27578 ATOM 27574 HW2 SOL 8667 43.310 61.180 19.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27579 ATOM 27575 OW SOL 8668 48.460 65.840 13.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27580 ATOM 27576 HW1 SOL 8668 48.800 66.770 13.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27581 ATOM 27577 HW2 SOL 8668 48.770 65.430 12.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27582 ATOM 27578 OW SOL 8669 51.320 64.230 9.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27583 ATOM 27579 HW1 SOL 8669 52.250 63.890 9.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27584 ATOM 27580 HW2 SOL 8669 51.300 65.220 10.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27585 ATOM 27581 OW SOL 8670 47.490 59.200 3.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27586 ATOM 27582 HW1 SOL 8670 48.390 58.850 3.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27587 ATOM 27583 HW2 SOL 8670 47.600 60.060 4.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27588 ATOM 27584 OW SOL 8671 42.210 62.630 3.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27589 ATOM 27585 HW1 SOL 8671 42.620 63.500 3.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27590 ATOM 27586 HW2 SOL 8671 41.230 62.740 3.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27591 ATOM 27587 OW SOL 8672 51.640 59.330 14.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27592 ATOM 27588 HW1 SOL 8672 52.350 59.020 13.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27593 ATOM 27589 HW2 SOL 8672 51.440 58.600 15.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27594 ATOM 27590 OW SOL 8673 52.550 65.450 13.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27595 ATOM 27591 HW1 SOL 8673 52.680 66.290 13.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27596 ATOM 27592 HW2 SOL 8673 51.780 65.560 12.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27597 ATOM 27593 OW SOL 8674 45.420 67.450 0.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27598 ATOM 27594 HW1 SOL 8674 45.210 67.380 1.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27599 ATOM 27595 HW2 SOL 8674 44.630 67.150 0.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27600 ATOM 27596 OW SOL 8675 43.350 64.760 7.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27601 ATOM 27597 HW1 SOL 8675 44.080 64.180 8.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27602 ATOM 27598 HW2 SOL 8675 42.840 65.180 8.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27603 ATOM 27599 OW SOL 8676 47.700 65.880 1.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27604 ATOM 27600 HW1 SOL 8676 47.150 66.340 0.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27605 ATOM 27601 HW2 SOL 8676 48.670 65.990 1.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27606 ATOM 27602 OW SOL 8677 52.800 71.020 7.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27607 ATOM 27603 HW1 SOL 8677 52.030 71.300 7.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27608 ATOM 27604 HW2 SOL 8677 53.540 70.670 7.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27609 ATOM 27605 OW SOL 8678 40.090 68.770 16.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27610 ATOM 27606 HW1 SOL 8678 40.760 69.000 17.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27611 ATOM 27607 HW2 SOL 8678 39.480 68.050 17.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27612 ATOM 27608 OW SOL 8679 36.720 70.370 5.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27613 ATOM 27609 HW1 SOL 8679 36.480 71.100 6.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27614 ATOM 27610 HW2 SOL 8679 36.090 70.380 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27615 ATOM 27611 OW SOL 8680 45.340 70.640 14.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27616 ATOM 27612 HW1 SOL 8680 45.460 71.580 14.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27617 ATOM 27613 HW2 SOL 8680 45.790 70.560 15.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27618 ATOM 27614 OW SOL 8681 53.910 58.350 10.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27619 ATOM 27615 HW1 SOL 8681 54.830 58.010 10.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27620 ATOM 27616 HW2 SOL 8681 53.390 57.660 9.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27621 ATOM 27617 OW SOL 8682 38.440 57.770 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27622 ATOM 27618 HW1 SOL 8682 39.180 57.220 2.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27623 ATOM 27619 HW2 SOL 8682 38.330 57.530 3.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27624 ATOM 27620 OW SOL 8683 54.590 69.680 8.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27625 ATOM 27621 HW1 SOL 8683 54.800 68.750 8.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27626 ATOM 27622 HW2 SOL 8683 54.100 69.640 9.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27627 ATOM 27623 OW SOL 8684 39.710 60.480 12.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27628 ATOM 27624 HW1 SOL 8684 40.460 60.070 13.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27629 ATOM 27625 HW2 SOL 8684 39.430 59.870 11.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27630 ATOM 27626 OW SOL 8685 43.140 71.530 7.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27631 ATOM 27627 HW1 SOL 8685 43.170 70.570 7.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27632 ATOM 27628 HW2 SOL 8685 42.910 71.590 6.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27633 ATOM 27629 OW SOL 8686 49.040 57.920 8.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27634 ATOM 27630 HW1 SOL 8686 48.060 57.740 8.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27635 ATOM 27631 HW2 SOL 8686 49.380 57.580 9.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27636 ATOM 27632 OW SOL 8687 46.730 55.460 10.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27637 ATOM 27633 HW1 SOL 8687 46.360 54.840 10.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27638 ATOM 27634 HW2 SOL 8687 47.710 55.570 10.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27639 ATOM 27635 OW SOL 8688 44.540 67.720 3.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27640 ATOM 27636 HW1 SOL 8688 45.000 67.240 4.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27641 ATOM 27637 HW2 SOL 8688 43.670 68.070 3.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27642 ATOM 27638 OW SOL 8689 42.600 71.750 12.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27643 ATOM 27639 HW1 SOL 8689 42.960 72.600 12.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27644 ATOM 27640 HW2 SOL 8689 43.280 71.350 11.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27645 ATOM 27641 OW SOL 8690 49.030 55.980 72.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27646 ATOM 27642 HW1 SOL 8690 48.480 56.360 71.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27647 ATOM 27643 HW2 SOL 8690 48.420 55.550 72.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27648 ATOM 27644 OW SOL 8691 48.350 61.510 5.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27649 ATOM 27645 HW1 SOL 8691 48.450 62.470 5.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27650 ATOM 27646 HW2 SOL 8691 49.020 61.270 6.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27651 ATOM 27647 OW SOL 8692 51.410 57.900 6.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27652 ATOM 27648 HW1 SOL 8692 50.560 58.020 7.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27653 ATOM 27649 HW2 SOL 8692 51.880 58.770 6.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27654 ATOM 27650 OW SOL 8693 37.110 65.610 3.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27655 ATOM 27651 HW1 SOL 8693 37.570 66.270 2.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27656 ATOM 27652 HW2 SOL 8693 37.790 65.150 4.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27657 ATOM 27653 OW SOL 8694 38.510 58.910 19.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27658 ATOM 27654 HW1 SOL 8694 37.620 58.660 20.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27659 ATOM 27655 HW2 SOL 8694 38.440 59.090 18.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27660 ATOM 27656 OW SOL 8695 36.870 57.040 29.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27661 ATOM 27657 HW1 SOL 8695 37.460 56.530 30.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27662 ATOM 27658 HW2 SOL 8695 36.730 56.510 28.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27663 ATOM 27659 OW SOL 8696 37.170 58.270 23.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27664 ATOM 27660 HW1 SOL 8696 36.480 58.630 24.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27665 ATOM 27661 HW2 SOL 8696 36.770 57.520 23.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27666 ATOM 27662 OW SOL 8697 44.470 69.730 33.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27667 ATOM 27663 HW1 SOL 8697 43.470 69.760 33.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27668 ATOM 27664 HW2 SOL 8697 44.800 70.560 32.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27669 ATOM 27665 OW SOL 8698 52.740 68.320 23.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27670 ATOM 27666 HW1 SOL 8698 51.760 68.490 23.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27671 ATOM 27667 HW2 SOL 8698 53.220 68.220 22.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27672 ATOM 27668 OW SOL 8699 47.730 62.340 24.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27673 ATOM 27669 HW1 SOL 8699 48.340 63.110 24.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27674 ATOM 27670 HW2 SOL 8699 47.370 62.010 25.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27675 ATOM 27671 OW SOL 8700 54.260 62.940 18.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27676 ATOM 27672 HW1 SOL 8700 54.590 62.100 18.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27677 ATOM 27673 HW2 SOL 8700 53.840 62.720 19.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27678 ATOM 27674 OW SOL 8701 44.130 67.250 31.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27679 ATOM 27675 HW1 SOL 8701 44.140 68.110 32.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27680 ATOM 27676 HW2 SOL 8701 44.090 67.440 30.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27681 ATOM 27677 OW SOL 8702 46.510 64.320 36.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27682 ATOM 27678 HW1 SOL 8702 47.430 64.480 35.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27683 ATOM 27679 HW2 SOL 8702 45.830 64.690 35.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27684 ATOM 27680 OW SOL 8703 43.740 65.270 24.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27685 ATOM 27681 HW1 SOL 8703 44.620 65.250 23.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27686 ATOM 27682 HW2 SOL 8703 43.500 66.220 24.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27687 ATOM 27683 OW SOL 8704 44.060 69.650 37.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27688 ATOM 27684 HW1 SOL 8704 45.030 69.700 36.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27689 ATOM 27685 HW2 SOL 8704 43.700 68.750 36.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27690 ATOM 27686 OW SOL 8705 40.630 70.110 28.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27691 ATOM 27687 HW1 SOL 8705 41.010 70.450 29.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27692 ATOM 27688 HW2 SOL 8705 40.470 70.880 27.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27693 ATOM 27689 OW SOL 8706 52.980 70.610 32.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27694 ATOM 27690 HW1 SOL 8706 52.920 71.240 31.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27695 ATOM 27691 HW2 SOL 8706 53.020 71.140 33.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27696 ATOM 27692 OW SOL 8707 41.210 61.400 36.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27697 ATOM 27693 HW1 SOL 8707 40.550 60.970 37.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27698 ATOM 27694 HW2 SOL 8707 40.840 61.410 35.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27699 ATOM 27695 OW SOL 8708 52.460 60.150 23.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27700 ATOM 27696 HW1 SOL 8708 51.510 60.410 23.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27701 ATOM 27697 HW2 SOL 8708 52.480 59.240 23.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27702 ATOM 27698 OW SOL 8709 47.870 67.920 33.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27703 ATOM 27699 HW1 SOL 8709 47.840 66.980 34.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27704 ATOM 27700 HW2 SOL 8709 47.580 68.540 34.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27705 ATOM 27701 OW SOL 8710 38.240 71.450 21.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27706 ATOM 27702 HW1 SOL 8710 39.030 71.830 20.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27707 ATOM 27703 HW2 SOL 8710 38.330 71.660 22.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27708 ATOM 27704 OW SOL 8711 41.350 67.750 27.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27709 ATOM 27705 HW1 SOL 8711 41.290 66.840 27.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27710 ATOM 27706 HW2 SOL 8711 40.680 68.350 27.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27711 ATOM 27707 OW SOL 8712 41.050 64.480 21.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27712 ATOM 27708 HW1 SOL 8712 41.580 65.330 21.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27713 ATOM 27709 HW2 SOL 8712 41.510 63.870 21.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27714 ATOM 27710 OW SOL 8713 53.900 55.410 32.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27715 ATOM 27711 HW1 SOL 8713 54.800 55.270 32.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27716 ATOM 27712 HW2 SOL 8713 53.990 55.910 33.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27717 ATOM 27713 OW SOL 8714 36.330 62.880 26.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27718 ATOM 27714 HW1 SOL 8714 36.960 62.490 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27719 ATOM 27715 HW2 SOL 8714 36.530 63.850 25.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27720 ATOM 27716 OW SOL 8715 37.020 70.300 19.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27721 ATOM 27717 HW1 SOL 8715 36.520 69.440 18.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27722 ATOM 27718 HW2 SOL 8715 37.550 70.270 19.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27723 ATOM 27719 OW SOL 8716 54.100 65.280 24.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27724 ATOM 27720 HW1 SOL 8716 54.530 64.420 24.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27725 ATOM 27721 HW2 SOL 8716 54.480 66.040 24.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27726 ATOM 27722 OW SOL 8717 52.660 65.180 21.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27727 ATOM 27723 HW1 SOL 8717 52.940 65.250 22.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27728 ATOM 27724 HW2 SOL 8717 52.940 64.290 21.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27729 ATOM 27725 OW SOL 8718 42.010 61.570 33.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27730 ATOM 27726 HW1 SOL 8718 42.150 62.200 33.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27731 ATOM 27727 HW2 SOL 8718 42.640 61.810 34.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27732 ATOM 27728 OW SOL 8719 43.940 70.690 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27733 ATOM 27729 HW1 SOL 8719 44.640 71.330 20.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27734 ATOM 27730 HW2 SOL 8719 44.370 69.920 21.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27735 ATOM 27731 OW SOL 8720 50.840 66.690 31.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27736 ATOM 27732 HW1 SOL 8720 51.500 67.250 31.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27737 ATOM 27733 HW2 SOL 8720 50.900 66.870 32.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27738 ATOM 27734 OW SOL 8721 43.970 53.840 23.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27739 ATOM 27735 HW1 SOL 8721 43.250 53.810 24.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27740 ATOM 27736 HW2 SOL 8721 43.820 54.620 22.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27741 ATOM 27737 OW SOL 8722 40.510 67.400 32.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27742 ATOM 27738 HW1 SOL 8722 41.240 66.790 31.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27743 ATOM 27739 HW2 SOL 8722 39.790 67.460 31.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27744 ATOM 27740 OW SOL 8723 50.040 66.150 19.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27745 ATOM 27741 HW1 SOL 8723 50.260 65.170 18.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27746 ATOM 27742 HW2 SOL 8723 50.890 66.660 19.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27747 ATOM 27743 OW SOL 8724 40.630 58.500 38.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27748 ATOM 27744 HW1 SOL 8724 40.500 59.170 39.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27749 ATOM 27745 HW2 SOL 8724 39.990 58.690 37.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27750 ATOM 27746 OW SOL 8725 50.670 68.850 26.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27751 ATOM 27747 HW1 SOL 8725 51.020 69.060 26.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27752 ATOM 27748 HW2 SOL 8725 50.710 67.860 25.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27753 ATOM 27749 OW SOL 8726 41.650 61.010 22.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27754 ATOM 27750 HW1 SOL 8726 42.350 61.720 22.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27755 ATOM 27751 HW2 SOL 8726 40.890 61.220 23.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27756 ATOM 27752 OW SOL 8727 48.350 59.280 26.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27757 ATOM 27753 HW1 SOL 8727 47.600 58.780 26.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27758 ATOM 27754 HW2 SOL 8727 49.050 59.480 27.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27759 ATOM 27755 OW SOL 8728 52.580 72.470 18.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27760 ATOM 27756 HW1 SOL 8728 53.080 72.530 18.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27761 ATOM 27757 HW2 SOL 8728 53.180 72.110 17.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27762 ATOM 27758 OW SOL 8729 45.050 60.410 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27763 ATOM 27759 HW1 SOL 8729 45.610 59.930 34.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27764 ATOM 27760 HW2 SOL 8729 44.420 59.760 32.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27765 ATOM 27761 OW SOL 8730 50.800 59.480 34.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27766 ATOM 27762 HW1 SOL 8730 50.560 60.010 35.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27767 ATOM 27763 HW2 SOL 8730 51.770 59.610 34.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27768 ATOM 27764 OW SOL 8731 47.340 64.880 31.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27769 ATOM 27765 HW1 SOL 8731 47.020 63.940 31.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27770 ATOM 27766 HW2 SOL 8731 48.060 64.910 31.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27771 ATOM 27767 OW SOL 8732 47.040 59.070 29.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27772 ATOM 27768 HW1 SOL 8732 47.440 59.930 29.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27773 ATOM 27769 HW2 SOL 8732 47.050 58.390 28.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27774 ATOM 27770 OW SOL 8733 46.180 61.790 22.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27775 ATOM 27771 HW1 SOL 8733 46.730 62.010 22.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27776 ATOM 27772 HW2 SOL 8733 45.380 61.260 22.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27777 ATOM 27773 OW SOL 8734 39.750 64.310 26.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27778 ATOM 27774 HW1 SOL 8734 40.240 64.810 27.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27779 ATOM 27775 HW2 SOL 8734 38.960 64.850 26.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27780 ATOM 27776 OW SOL 8735 37.800 1.740 33.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27781 ATOM 27777 HW1 SOL 8735 38.710 1.340 33.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27782 ATOM 27778 HW2 SOL 8735 37.100 1.030 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27783 ATOM 27779 OW SOL 8736 44.690 58.550 19.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27784 ATOM 27780 HW1 SOL 8736 44.700 58.950 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27785 ATOM 27781 HW2 SOL 8736 45.560 58.090 19.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27786 ATOM 27782 OW SOL 8737 55.160 61.160 35.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27787 ATOM 27783 HW1 SOL 8737 55.100 62.010 34.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27788 ATOM 27784 HW2 SOL 8737 54.450 60.530 34.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27789 ATOM 27785 OW SOL 8738 49.840 66.360 22.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27790 ATOM 27786 HW1 SOL 8738 50.670 65.920 21.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27791 ATOM 27787 HW2 SOL 8738 50.060 67.280 22.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27792 ATOM 27788 OW SOL 8739 42.540 58.580 28.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27793 ATOM 27789 HW1 SOL 8739 42.040 58.070 29.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27794 ATOM 27790 HW2 SOL 8739 41.880 58.970 27.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27795 ATOM 27791 OW SOL 8740 48.280 72.460 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27796 ATOM 27792 HW1 SOL 8740 49.130 72.900 22.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27797 ATOM 27793 HW2 SOL 8740 48.500 71.640 23.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27798 ATOM 27794 OW SOL 8741 40.410 72.220 26.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27799 ATOM 27795 HW1 SOL 8741 41.030 71.810 25.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27800 ATOM 27796 HW2 SOL 8741 40.780 73.100 26.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27801 ATOM 27797 OW SOL 8742 55.600 66.310 27.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27802 ATOM 27798 HW1 SOL 8742 55.530 66.900 27.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27803 ATOM 27799 HW2 SOL 8742 54.710 66.270 28.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27804 ATOM 27800 OW SOL 8743 51.030 71.320 34.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27805 ATOM 27801 HW1 SOL 8743 51.030 70.400 34.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27806 ATOM 27802 HW2 SOL 8743 50.120 71.720 34.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27807 ATOM 27803 OW SOL 8744 38.380 63.110 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27808 ATOM 27804 HW1 SOL 8744 39.250 63.600 21.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27809 ATOM 27805 HW2 SOL 8744 38.490 62.380 21.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27810 ATOM 27806 OW SOL 8745 52.040 64.190 25.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27811 ATOM 27807 HW1 SOL 8745 52.480 63.360 26.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27812 ATOM 27808 HW2 SOL 8745 52.740 64.830 25.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27813 ATOM 27809 OW SOL 8746 42.670 67.380 36.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27814 ATOM 27810 HW1 SOL 8746 42.620 66.440 36.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27815 ATOM 27811 HW2 SOL 8746 41.760 67.790 36.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27816 ATOM 27812 OW SOL 8747 38.230 58.320 33.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27817 ATOM 27813 HW1 SOL 8747 38.130 59.190 32.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27818 ATOM 27814 HW2 SOL 8747 39.100 58.320 33.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27819 ATOM 27815 OW SOL 8748 52.050 68.970 16.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27820 ATOM 27816 HW1 SOL 8748 52.580 69.820 16.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27821 ATOM 27817 HW2 SOL 8748 51.080 69.180 16.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27822 ATOM 27818 OW SOL 8749 50.510 56.480 22.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27823 ATOM 27819 HW1 SOL 8749 50.750 56.440 21.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27824 ATOM 27820 HW2 SOL 8749 51.310 56.760 22.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27825 ATOM 27821 OW SOL 8750 39.850 61.870 25.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27826 ATOM 27822 HW1 SOL 8750 38.920 61.890 24.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27827 ATOM 27823 HW2 SOL 8750 39.980 62.670 25.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27828 ATOM 27824 OW SOL 8751 50.760 56.540 35.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27829 ATOM 27825 HW1 SOL 8751 49.790 56.330 35.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27830 ATOM 27826 HW2 SOL 8751 50.890 57.530 35.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27831 ATOM 27827 OW SOL 8752 44.270 55.920 21.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27832 ATOM 27828 HW1 SOL 8752 45.060 56.530 21.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27833 ATOM 27829 HW2 SOL 8752 44.090 55.460 20.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27834 ATOM 27830 OW SOL 8753 46.010 57.490 36.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27835 ATOM 27831 HW1 SOL 8753 46.410 56.860 37.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27836 ATOM 27832 HW2 SOL 8753 45.450 56.970 36.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27837 ATOM 27833 OW SOL 8754 46.930 71.490 30.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27838 ATOM 27834 HW1 SOL 8754 47.230 70.660 30.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27839 ATOM 27835 HW2 SOL 8754 47.570 72.230 30.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27840 ATOM 27836 OW SOL 8755 49.870 61.130 32.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27841 ATOM 27837 HW1 SOL 8755 50.300 60.600 33.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27842 ATOM 27838 HW2 SOL 8755 50.220 62.060 32.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27843 ATOM 27839 OW SOL 8756 43.880 67.710 29.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27844 ATOM 27840 HW1 SOL 8756 44.600 68.300 28.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27845 ATOM 27841 HW2 SOL 8756 43.030 67.900 28.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27846 ATOM 27842 OW SOL 8757 44.520 60.200 26.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27847 ATOM 27843 HW1 SOL 8757 44.310 59.790 26.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27848 ATOM 27844 HW2 SOL 8757 43.930 59.790 27.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27849 ATOM 27845 OW SOL 8758 41.690 55.160 24.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27850 ATOM 27846 HW1 SOL 8758 40.790 55.070 24.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27851 ATOM 27847 HW2 SOL 8758 41.600 55.710 23.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27852 ATOM 27848 OW SOL 8759 48.510 68.690 18.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27853 ATOM 27849 HW1 SOL 8759 49.190 67.970 19.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27854 ATOM 27850 HW2 SOL 8759 48.060 68.850 19.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27855 ATOM 27851 OW SOL 8760 39.390 54.320 20.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27856 ATOM 27852 HW1 SOL 8760 39.710 53.490 20.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27857 ATOM 27853 HW2 SOL 8760 40.170 54.810 21.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27858 ATOM 27854 OW SOL 8761 46.740 57.160 21.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27859 ATOM 27855 HW1 SOL 8761 47.360 57.740 21.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27860 ATOM 27856 HW2 SOL 8761 47.170 56.260 20.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27861 ATOM 27857 OW SOL 8762 46.830 62.040 31.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27862 ATOM 27858 HW1 SOL 8762 46.060 61.640 32.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27863 ATOM 27859 HW2 SOL 8762 47.680 61.760 32.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27864 ATOM 27860 OW SOL 8763 49.640 71.330 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27865 ATOM 27861 HW1 SOL 8763 49.960 72.100 25.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27866 ATOM 27862 HW2 SOL 8763 50.030 70.480 25.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27867 ATOM 27863 OW SOL 8764 43.230 67.840 24.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27868 ATOM 27864 HW1 SOL 8764 42.760 67.810 25.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27869 ATOM 27865 HW2 SOL 8764 42.890 68.620 24.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27870 ATOM 27866 OW SOL 8765 46.640 60.420 18.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27871 ATOM 27867 HW1 SOL 8765 46.180 61.300 17.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27872 ATOM 27868 HW2 SOL 8765 47.110 60.430 18.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27873 ATOM 27869 OW SOL 8766 38.470 61.330 31.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27874 ATOM 27870 HW1 SOL 8766 39.180 60.960 30.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27875 ATOM 27871 HW2 SOL 8766 38.700 62.280 31.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27876 ATOM 27872 OW SOL 8767 40.850 57.000 29.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27877 ATOM 27873 HW1 SOL 8767 40.650 56.490 30.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27878 ATOM 27874 HW2 SOL 8767 40.090 57.620 29.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27879 ATOM 27875 OW SOL 8768 43.710 58.730 24.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27880 ATOM 27876 HW1 SOL 8768 43.870 59.000 23.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27881 ATOM 27877 HW2 SOL 8768 44.430 58.120 25.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27882 ATOM 27878 OW SOL 8769 45.460 56.550 24.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27883 ATOM 27879 HW1 SOL 8769 44.970 56.140 23.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27884 ATOM 27880 HW2 SOL 8769 46.300 56.040 24.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27885 ATOM 27881 OW SOL 8770 50.890 66.010 27.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27886 ATOM 27882 HW1 SOL 8770 49.900 65.940 27.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27887 ATOM 27883 HW2 SOL 8770 51.310 65.340 26.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27888 ATOM 27884 OW SOL 8771 53.130 61.790 26.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27889 ATOM 27885 HW1 SOL 8771 53.680 60.970 26.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27890 ATOM 27886 HW2 SOL 8771 52.520 61.730 27.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27891 ATOM 27887 OW SOL 8772 56.970 63.850 20.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27892 ATOM 27888 HW1 SOL 8772 56.590 63.070 21.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27893 ATOM 27889 HW2 SOL 8772 56.380 64.060 20.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27894 ATOM 27890 OW SOL 8773 41.950 68.680 19.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27895 ATOM 27891 HW1 SOL 8773 41.210 68.750 19.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27896 ATOM 27892 HW2 SOL 8773 42.400 67.800 19.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27897 ATOM 27893 OW SOL 8774 54.770 67.650 25.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27898 ATOM 27894 HW1 SOL 8774 55.570 67.930 24.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27899 ATOM 27895 HW2 SOL 8774 53.950 68.090 24.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27900 ATOM 27896 OW SOL 8775 49.950 60.720 18.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27901 ATOM 27897 HW1 SOL 8775 49.310 60.650 19.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27902 ATOM 27898 HW2 SOL 8775 50.740 60.130 18.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27903 ATOM 27899 OW SOL 8776 41.430 56.340 21.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27904 ATOM 27900 HW1 SOL 8776 42.420 56.160 21.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27905 ATOM 27901 HW2 SOL 8776 41.260 57.310 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27906 ATOM 27902 OW SOL 8777 55.010 67.460 32.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27907 ATOM 27903 HW1 SOL 8777 55.200 66.480 32.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27908 ATOM 27904 HW2 SOL 8777 54.950 67.710 33.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27909 ATOM 27905 OW SOL 8778 48.990 68.050 29.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27910 ATOM 27906 HW1 SOL 8778 48.270 68.320 30.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27911 ATOM 27907 HW2 SOL 8778 49.450 67.230 30.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27912 ATOM 27908 OW SOL 8779 52.560 71.910 36.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27913 ATOM 27909 HW1 SOL 8779 53.530 71.860 36.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27914 ATOM 27910 HW2 SOL 8779 52.000 71.750 35.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27915 ATOM 27911 OW SOL 8780 47.910 66.580 27.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27916 ATOM 27912 HW1 SOL 8780 48.340 67.180 28.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27917 ATOM 27913 HW2 SOL 8780 46.980 66.910 27.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27918 ATOM 27914 OW SOL 8781 53.290 66.130 29.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27919 ATOM 27915 HW1 SOL 8781 53.200 66.930 29.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27920 ATOM 27916 HW2 SOL 8781 52.380 65.810 28.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27921 ATOM 27917 OW SOL 8782 44.190 58.380 30.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27922 ATOM 27918 HW1 SOL 8782 43.580 58.420 29.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27923 ATOM 27919 HW2 SOL 8782 45.110 58.660 30.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27924 ATOM 27920 OW SOL 8783 47.020 66.360 37.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27925 ATOM 27921 HW1 SOL 8783 46.680 65.490 37.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27926 ATOM 27922 HW2 SOL 8783 47.870 66.200 38.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27927 ATOM 27923 OW SOL 8784 43.140 63.340 22.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27928 ATOM 27924 HW1 SOL 8784 43.350 63.910 23.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27929 ATOM 27925 HW2 SOL 8784 43.740 63.590 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27930 ATOM 27926 OW SOL 8785 44.070 62.990 30.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27931 ATOM 27927 HW1 SOL 8785 44.990 62.590 30.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27932 ATOM 27928 HW2 SOL 8785 43.710 62.830 29.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27933 ATOM 27929 OW SOL 8786 48.460 58.820 31.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27934 ATOM 27930 HW1 SOL 8786 49.260 59.420 31.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27935 ATOM 27931 HW2 SOL 8786 47.720 59.290 31.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27936 ATOM 27932 OW SOL 8787 38.780 72.240 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27937 ATOM 27933 HW1 SOL 8787 38.180 71.960 30.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27938 ATOM 27934 HW2 SOL 8787 39.730 71.990 31.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27939 ATOM 27935 OW SOL 8788 41.830 69.560 22.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27940 ATOM 27936 HW1 SOL 8788 41.220 68.880 22.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27941 ATOM 27937 HW2 SOL 8788 42.410 69.970 21.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27942 ATOM 27938 OW SOL 8789 41.330 59.550 25.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27943 ATOM 27939 HW1 SOL 8789 40.810 60.340 25.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27944 ATOM 27940 HW2 SOL 8789 41.990 59.270 25.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27945 ATOM 27941 OW SOL 8790 49.960 68.780 23.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27946 ATOM 27942 HW1 SOL 8790 49.470 69.330 22.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27947 ATOM 27943 HW2 SOL 8790 49.750 69.120 23.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27948 ATOM 27944 OW SOL 8791 50.990 69.360 28.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27949 ATOM 27945 HW1 SOL 8791 51.730 68.940 29.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27950 ATOM 27946 HW2 SOL 8791 50.120 68.960 28.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27951 ATOM 27947 OW SOL 8792 50.710 62.350 21.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27952 ATOM 27948 HW1 SOL 8792 50.550 61.890 22.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27953 ATOM 27949 HW2 SOL 8792 49.960 62.990 21.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27954 ATOM 27950 OW SOL 8793 41.300 71.150 30.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27955 ATOM 27951 HW1 SOL 8793 41.420 70.570 31.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27956 ATOM 27952 HW2 SOL 8793 42.080 71.770 30.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27957 ATOM 27953 OW SOL 8794 42.960 63.480 37.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27958 ATOM 27954 HW1 SOL 8794 43.880 63.240 37.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27959 ATOM 27955 HW2 SOL 8794 42.350 62.700 37.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27960 ATOM 27956 OW SOL 8795 55.060 63.560 33.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27961 ATOM 27957 HW1 SOL 8795 54.150 63.940 33.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27962 ATOM 27958 HW2 SOL 8795 55.520 64.030 33.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27963 ATOM 27959 OW SOL 8796 48.040 55.500 37.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27964 ATOM 27960 HW1 SOL 8796 48.510 54.840 38.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27965 ATOM 27961 HW2 SOL 8796 48.040 55.150 36.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27966 ATOM 27962 OW SOL 8797 42.320 57.150 36.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27967 ATOM 27963 HW1 SOL 8797 41.370 57.240 36.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27968 ATOM 27964 HW2 SOL 8797 42.620 58.020 36.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27969 ATOM 27965 OW SOL 8798 42.260 65.380 31.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27970 ATOM 27966 HW1 SOL 8798 43.010 65.990 31.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27971 ATOM 27967 HW2 SOL 8798 42.600 64.450 31.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27972 ATOM 27968 OW SOL 8799 49.960 62.980 27.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27973 ATOM 27969 HW1 SOL 8799 49.950 62.940 26.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27974 ATOM 27970 HW2 SOL 8799 50.630 62.330 28.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27975 ATOM 27971 OW SOL 8800 48.130 60.860 20.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27976 ATOM 27972 HW1 SOL 8800 48.290 60.180 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27977 ATOM 27973 HW2 SOL 8800 47.290 61.370 20.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27978 ATOM 27974 OW SOL 8801 38.550 55.800 31.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27979 ATOM 27975 HW1 SOL 8801 37.990 55.980 32.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27980 ATOM 27976 HW2 SOL 8801 38.900 54.860 31.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27981 ATOM 27977 OW SOL 8802 35.880 68.980 29.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27982 ATOM 27978 HW1 SOL 8802 36.420 69.820 29.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27983 ATOM 27979 HW2 SOL 8802 35.210 69.020 30.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27984 ATOM 27980 OW SOL 8803 42.790 62.470 28.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27985 ATOM 27981 HW1 SOL 8803 42.970 61.710 27.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27986 ATOM 27982 HW2 SOL 8803 42.890 63.340 27.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27987 ATOM 27983 OW SOL 8804 56.180 64.860 35.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27988 ATOM 27984 HW1 SOL 8804 55.550 64.580 35.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27989 ATOM 27985 HW2 SOL 8804 55.690 64.920 36.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27990 ATOM 27986 OW SOL 8805 39.370 55.100 25.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27991 ATOM 27987 HW1 SOL 8805 39.000 56.020 26.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27992 ATOM 27988 HW2 SOL 8805 39.420 54.670 26.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27993 ATOM 27989 OW SOL 8806 53.440 62.540 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27994 ATOM 27990 HW1 SOL 8806 54.120 62.120 22.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27995 ATOM 27991 HW2 SOL 8806 52.540 62.160 21.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27996 ATOM 27992 OW SOL 8807 46.400 62.170 27.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27997 ATOM 27993 HW1 SOL 8807 47.000 61.660 27.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27998 ATOM 27994 HW2 SOL 8807 45.610 61.610 27.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
27999 ATOM 27995 OW SOL 8808 48.560 0.020 34.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28000 ATOM 27996 HW1 SOL 8808 48.040 -0.830 34.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28001 ATOM 27997 HW2 SOL 8808 48.020 0.780 34.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28002 ATOM 27998 OW SOL 8809 56.260 70.120 31.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28003 ATOM 27999 HW1 SOL 8809 55.910 69.260 32.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28004 ATOM 28000 HW2 SOL 8809 55.500 70.750 31.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28005 ATOM 28001 OW SOL 8810 40.860 65.130 38.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28006 ATOM 28002 HW1 SOL 8810 41.200 65.890 39.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28007 ATOM 28003 HW2 SOL 8810 41.630 64.570 38.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28008 ATOM 28004 OW SOL 8811 51.740 58.760 18.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28009 ATOM 28005 HW1 SOL 8811 51.320 57.900 19.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28010 ATOM 28006 HW2 SOL 8811 52.540 58.960 19.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28011 ATOM 28007 OW SOL 8812 49.570 63.450 18.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28012 ATOM 28008 HW1 SOL 8812 49.860 62.530 18.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28013 ATOM 28009 HW2 SOL 8812 49.500 63.510 17.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28014 ATOM 28010 OW SOL 8813 45.950 69.520 28.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28015 ATOM 28011 HW1 SOL 8813 46.370 70.180 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28016 ATOM 28012 HW2 SOL 8813 45.670 69.980 27.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28017 ATOM 28013 OW SOL 8814 41.090 65.490 28.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28018 ATOM 28014 HW1 SOL 8814 41.900 65.140 28.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28019 ATOM 28015 HW2 SOL 8814 41.340 65.810 29.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28020 ATOM 28016 OW SOL 8815 39.030 58.770 28.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28021 ATOM 28017 HW1 SOL 8815 38.240 58.310 29.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28022 ATOM 28018 HW2 SOL 8815 39.160 58.420 27.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28023 ATOM 28019 OW SOL 8816 49.310 57.610 38.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28024 ATOM 28020 HW1 SOL 8816 48.750 57.030 38.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28025 ATOM 28021 HW2 SOL 8816 48.720 58.220 39.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28026 ATOM 28022 OW SOL 8817 47.260 56.580 32.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28027 ATOM 28023 HW1 SOL 8817 47.690 57.470 32.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28028 ATOM 28024 HW2 SOL 8817 47.710 55.900 32.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28029 ATOM 28025 OW SOL 8818 37.400 66.930 20.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28030 ATOM 28026 HW1 SOL 8818 36.580 67.490 20.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28031 ATOM 28027 HW2 SOL 8818 37.130 66.010 20.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28032 ATOM 28028 OW SOL 8819 42.850 70.810 24.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28033 ATOM 28029 HW1 SOL 8819 43.670 70.900 25.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28034 ATOM 28030 HW2 SOL 8819 43.010 71.220 24.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28035 ATOM 28031 OW SOL 8820 48.110 61.460 29.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28036 ATOM 28032 HW1 SOL 8820 48.780 62.020 28.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28037 ATOM 28033 HW2 SOL 8820 47.700 62.010 29.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28038 ATOM 28034 OW SOL 8821 37.950 62.410 28.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28039 ATOM 28035 HW1 SOL 8821 38.590 63.160 28.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28040 ATOM 28036 HW2 SOL 8821 38.240 61.880 29.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28041 ATOM 28037 OW SOL 8822 39.410 61.710 34.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28042 ATOM 28038 HW1 SOL 8822 38.720 62.080 34.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28043 ATOM 28039 HW2 SOL 8822 40.270 61.590 34.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28044 ATOM 28040 OW SOL 8823 52.390 64.510 34.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28045 ATOM 28041 HW1 SOL 8823 52.170 65.440 34.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28046 ATOM 28042 HW2 SOL 8823 52.050 64.360 33.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28047 ATOM 28043 OW SOL 8824 44.190 59.880 22.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28048 ATOM 28044 HW1 SOL 8824 44.580 59.520 21.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28049 ATOM 28045 HW2 SOL 8824 43.190 59.940 21.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28050 ATOM 28046 OW SOL 8825 51.680 61.130 28.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28051 ATOM 28047 HW1 SOL 8825 51.150 60.290 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28052 ATOM 28048 HW2 SOL 8825 52.150 61.360 29.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28053 ATOM 28049 OW SOL 8826 39.290 70.470 35.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28054 ATOM 28050 HW1 SOL 8826 38.630 71.060 35.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28055 ATOM 28051 HW2 SOL 8826 39.600 69.750 35.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28056 ATOM 28052 OW SOL 8827 42.110 59.120 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28057 ATOM 28053 HW1 SOL 8827 42.250 59.420 31.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28058 ATOM 28054 HW2 SOL 8827 42.070 59.920 33.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28059 ATOM 28055 OW SOL 8828 40.940 58.880 20.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28060 ATOM 28056 HW1 SOL 8828 41.170 59.740 21.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28061 ATOM 28057 HW2 SOL 8828 40.000 58.930 20.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28062 ATOM 28058 OW SOL 8829 38.680 66.120 33.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28063 ATOM 28059 HW1 SOL 8829 38.920 66.180 34.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28064 ATOM 28060 HW2 SOL 8829 39.410 66.540 33.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28065 ATOM 28061 OW SOL 8830 48.870 64.720 29.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28066 ATOM 28062 HW1 SOL 8830 49.390 63.980 29.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28067 ATOM 28063 HW2 SOL 8830 48.260 65.140 28.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28068 ATOM 28064 OW SOL 8831 48.750 64.080 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28069 ATOM 28065 HW1 SOL 8831 48.980 65.040 21.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28070 ATOM 28066 HW2 SOL 8831 49.030 63.860 20.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28071 ATOM 28067 OW SOL 8832 54.850 0.050 33.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28072 ATOM 28068 HW1 SOL 8832 54.970 -0.510 34.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28073 ATOM 28069 HW2 SOL 8832 55.630 0.670 33.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28074 ATOM 28070 OW SOL 8833 50.600 71.850 28.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28075 ATOM 28071 HW1 SOL 8833 50.970 72.280 27.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28076 ATOM 28072 HW2 SOL 8833 50.670 70.860 28.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28077 ATOM 28073 OW SOL 8834 38.030 66.970 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28078 ATOM 28074 HW1 SOL 8834 37.640 67.870 30.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28079 ATOM 28075 HW2 SOL 8834 37.830 66.340 29.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28080 ATOM 28076 OW SOL 8835 52.900 57.640 22.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28081 ATOM 28077 HW1 SOL 8835 53.580 58.060 22.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28082 ATOM 28078 HW2 SOL 8835 53.300 56.840 23.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28083 ATOM 28079 OW SOL 8836 52.430 68.550 20.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28084 ATOM 28080 HW1 SOL 8836 52.760 67.890 20.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28085 ATOM 28081 HW2 SOL 8836 52.040 69.340 20.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28086 ATOM 28082 OW SOL 8837 38.010 0.530 37.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28087 ATOM 28083 HW1 SOL 8837 37.670 -0.390 37.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28088 ATOM 28084 HW2 SOL 8837 37.320 1.210 37.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28089 ATOM 28085 OW SOL 8838 49.440 64.330 24.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28090 ATOM 28086 HW1 SOL 8838 50.360 64.250 25.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28091 ATOM 28087 HW2 SOL 8838 49.440 64.970 23.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28092 ATOM 28088 OW SOL 8839 46.940 68.950 31.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28093 ATOM 28089 HW1 SOL 8839 47.320 68.800 32.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28094 ATOM 28090 HW2 SOL 8839 46.020 68.570 31.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28095 ATOM 28091 OW SOL 8840 43.920 70.320 17.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28096 ATOM 28092 HW1 SOL 8840 44.140 69.480 16.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28097 ATOM 28093 HW2 SOL 8840 43.400 70.100 18.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28098 ATOM 28094 OW SOL 8841 54.900 57.840 27.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28099 ATOM 28095 HW1 SOL 8841 55.560 57.190 26.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28100 ATOM 28096 HW2 SOL 8841 54.790 58.620 26.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28101 ATOM 28097 OW SOL 8842 39.070 57.770 26.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28102 ATOM 28098 HW1 SOL 8842 39.920 58.230 25.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28103 ATOM 28099 HW2 SOL 8842 38.410 57.790 25.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28104 ATOM 28100 OW SOL 8843 48.080 69.980 21.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28105 ATOM 28101 HW1 SOL 8843 47.490 70.730 21.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28106 ATOM 28102 HW2 SOL 8843 47.530 69.160 21.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28107 ATOM 28103 OW SOL 8844 45.120 65.290 33.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28108 ATOM 28104 HW1 SOL 8844 44.500 66.070 33.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28109 ATOM 28105 HW2 SOL 8844 45.690 65.420 32.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28110 ATOM 28106 OW SOL 8845 45.650 64.510 20.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28111 ATOM 28107 HW1 SOL 8845 46.330 64.910 20.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28112 ATOM 28108 HW2 SOL 8845 45.980 63.640 21.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28113 ATOM 28109 OW SOL 8846 41.570 69.790 33.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28114 ATOM 28110 HW1 SOL 8846 41.290 70.000 34.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28115 ATOM 28111 HW2 SOL 8846 41.090 68.970 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28116 ATOM 28112 OW SOL 8847 52.870 68.420 30.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28117 ATOM 28113 HW1 SOL 8847 53.710 68.020 31.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28118 ATOM 28114 HW2 SOL 8847 52.650 69.250 31.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28119 ATOM 28115 OW SOL 8848 46.760 66.020 24.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28120 ATOM 28116 HW1 SOL 8848 46.650 65.560 25.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28121 ATOM 28117 HW2 SOL 8848 47.400 65.500 23.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28122 ATOM 28118 OW SOL 8849 46.700 57.380 27.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28123 ATOM 28119 HW1 SOL 8849 46.240 57.170 26.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28124 ATOM 28120 HW2 SOL 8849 46.730 56.560 28.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28125 ATOM 28121 OW SOL 8850 46.250 71.940 21.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28126 ATOM 28122 HW1 SOL 8850 46.440 72.350 21.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28127 ATOM 28123 HW2 SOL 8850 46.790 72.400 20.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28128 ATOM 28124 OW SOL 8851 54.360 59.190 32.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28129 ATOM 28125 HW1 SOL 8851 54.740 60.050 31.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28130 ATOM 28126 HW2 SOL 8851 54.360 58.510 31.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28131 ATOM 28127 OW SOL 8852 39.540 68.620 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28132 ATOM 28128 HW1 SOL 8852 38.820 68.070 20.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28133 ATOM 28129 HW2 SOL 8852 39.120 69.290 21.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28134 ATOM 28130 OW SOL 8853 39.000 66.100 36.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28135 ATOM 28131 HW1 SOL 8853 38.020 65.980 36.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28136 ATOM 28132 HW2 SOL 8853 39.500 65.440 37.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28137 ATOM 28133 OW SOL 8854 44.600 56.760 32.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28138 ATOM 28134 HW1 SOL 8854 44.190 57.210 31.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28139 ATOM 28135 HW2 SOL 8854 45.590 56.890 32.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28140 ATOM 28136 OW SOL 8855 38.460 59.030 17.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28141 ATOM 28137 HW1 SOL 8855 37.510 58.800 16.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28142 ATOM 28138 HW2 SOL 8855 38.720 59.870 16.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28143 ATOM 28139 OW SOL 8856 51.430 64.050 31.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28144 ATOM 28140 HW1 SOL 8856 50.730 64.740 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28145 ATOM 28141 HW2 SOL 8856 51.940 63.860 31.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28146 ATOM 28142 OW SOL 8857 36.920 55.590 21.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28147 ATOM 28143 HW1 SOL 8857 36.670 56.440 20.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28148 ATOM 28144 HW2 SOL 8857 37.910 55.430 21.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28149 ATOM 28145 OW SOL 8858 47.120 67.250 21.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28150 ATOM 28146 HW1 SOL 8858 47.020 66.830 20.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28151 ATOM 28147 HW2 SOL 8858 47.860 66.810 21.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28152 ATOM 28148 OW SOL 8859 44.280 62.800 34.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28153 ATOM 28149 HW1 SOL 8859 44.550 63.720 34.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28154 ATOM 28150 HW2 SOL 8859 44.900 62.140 34.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28155 ATOM 28151 OW SOL 8860 51.210 0.630 26.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28156 ATOM 28152 HW1 SOL 8860 51.770 1.430 26.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28157 ATOM 28153 HW2 SOL 8860 51.630 0.160 25.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28158 ATOM 28154 OW SOL 8861 46.980 59.210 34.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28159 ATOM 28155 HW1 SOL 8861 47.580 58.940 34.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28160 ATOM 28156 HW2 SOL 8861 46.870 58.440 35.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28161 ATOM 28157 OW SOL 8862 51.990 67.510 34.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28162 ATOM 28158 HW1 SOL 8862 51.250 67.640 34.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28163 ATOM 28159 HW2 SOL 8862 52.850 67.820 34.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28164 ATOM 28160 OW SOL 8863 53.370 62.800 30.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28165 ATOM 28161 HW1 SOL 8863 54.150 62.630 30.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28166 ATOM 28162 HW2 SOL 8863 53.680 63.270 29.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28167 ATOM 28163 OW SOL 8864 48.710 58.540 22.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28168 ATOM 28164 HW1 SOL 8864 49.340 57.760 22.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28169 ATOM 28165 HW2 SOL 8864 48.810 59.030 23.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28170 ATOM 28166 OW SOL 8865 43.310 64.790 27.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28171 ATOM 28167 HW1 SOL 8865 44.230 65.160 27.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28172 ATOM 28168 HW2 SOL 8865 43.150 64.660 26.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28173 ATOM 28169 OW SOL 8866 53.480 59.350 34.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28174 ATOM 28170 HW1 SOL 8866 53.810 59.200 33.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28175 ATOM 28171 HW2 SOL 8866 53.480 58.480 34.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28176 ATOM 28172 OW SOL 8867 55.830 64.810 31.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28177 ATOM 28173 HW1 SOL 8867 56.740 65.180 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28178 ATOM 28174 HW2 SOL 8867 55.610 64.850 30.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28179 ATOM 28175 OW SOL 8868 45.140 68.600 22.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28180 ATOM 28176 HW1 SOL 8868 45.410 68.590 23.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28181 ATOM 28177 HW2 SOL 8868 45.750 68.010 21.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28182 ATOM 28178 OW SOL 8869 46.240 64.760 26.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28183 ATOM 28179 HW1 SOL 8869 46.210 63.790 26.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28184 ATOM 28180 HW2 SOL 8869 46.970 65.220 27.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28185 ATOM 28181 OW SOL 8870 47.040 65.520 18.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28186 ATOM 28182 HW1 SOL 8870 46.980 65.640 17.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28187 ATOM 28183 HW2 SOL 8870 48.000 65.440 19.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28188 ATOM 28184 OW SOL 8871 53.240 70.680 25.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28189 ATOM 28185 HW1 SOL 8871 52.730 69.830 25.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28190 ATOM 28186 HW2 SOL 8871 53.780 70.840 26.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28191 ATOM 28187 OW SOL 8872 40.050 68.570 36.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28192 ATOM 28188 HW1 SOL 8872 39.580 67.710 36.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28193 ATOM 28189 HW2 SOL 8872 40.050 68.710 37.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28194 ATOM 28190 OW SOL 8873 39.810 69.890 24.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28195 ATOM 28191 HW1 SOL 8873 39.840 69.220 25.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28196 ATOM 28192 HW2 SOL 8873 40.680 69.890 23.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28197 ATOM 28193 OW SOL 8874 46.880 70.490 34.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28198 ATOM 28194 HW1 SOL 8874 46.130 70.400 34.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28199 ATOM 28195 HW2 SOL 8874 46.810 69.770 35.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28200 ATOM 28196 OW SOL 8875 54.470 57.080 30.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28201 ATOM 28197 HW1 SOL 8875 55.140 56.360 30.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28202 ATOM 28198 HW2 SOL 8875 54.620 57.440 29.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28203 ATOM 28199 OW SOL 8876 37.910 61.330 23.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28204 ATOM 28200 HW1 SOL 8876 37.000 61.750 23.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28205 ATOM 28201 HW2 SOL 8876 37.850 60.410 22.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28206 ATOM 28202 OW SOL 8877 54.730 71.160 28.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28207 ATOM 28203 HW1 SOL 8877 55.650 70.800 28.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28208 ATOM 28204 HW2 SOL 8877 54.680 72.100 28.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28209 ATOM 28205 OW SOL 8878 40.630 61.500 29.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28210 ATOM 28206 HW1 SOL 8878 40.220 60.980 28.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28211 ATOM 28207 HW2 SOL 8878 41.470 61.940 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28212 ATOM 28208 OW SOL 8879 45.470 71.140 26.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28213 ATOM 28209 HW1 SOL 8879 45.770 71.990 25.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28214 ATOM 28210 HW2 SOL 8879 45.970 70.370 25.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28215 ATOM 28211 OW SOL 8880 50.250 58.710 28.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28216 ATOM 28212 HW1 SOL 8880 50.940 57.980 28.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28217 ATOM 28213 HW2 SOL 8880 49.540 58.500 29.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28218 ATOM 28214 OW SOL 8881 46.350 55.370 29.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28219 ATOM 28215 HW1 SOL 8881 45.470 54.940 28.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28220 ATOM 28216 HW2 SOL 8881 46.760 54.940 29.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28221 ATOM 28217 OW SOL 8882 45.890 68.590 24.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28222 ATOM 28218 HW1 SOL 8882 44.970 68.400 25.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28223 ATOM 28219 HW2 SOL 8882 46.330 67.730 24.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28224 ATOM 28220 OW SOL 8883 44.110 0.020 30.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28225 ATOM 28221 HW1 SOL 8883 44.190 0.020 31.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28226 ATOM 28222 HW2 SOL 8883 44.840 -0.530 29.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28227 ATOM 28223 OW SOL 8884 50.180 56.600 19.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28228 ATOM 28224 HW1 SOL 8884 50.430 55.750 18.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28229 ATOM 28225 HW2 SOL 8884 49.320 56.470 19.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28230 ATOM 28226 OW SOL 8885 49.510 60.190 24.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28231 ATOM 28227 HW1 SOL 8885 48.970 61.000 24.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28232 ATOM 28228 HW2 SOL 8885 49.090 59.730 25.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28233 ATOM 28229 OW SOL 8886 52.100 56.000 26.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28234 ATOM 28230 HW1 SOL 8886 51.120 56.160 26.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28235 ATOM 28231 HW2 SOL 8886 52.440 55.750 25.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28236 ATOM 28232 OW SOL 8887 36.120 64.560 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28237 ATOM 28233 HW1 SOL 8887 36.960 64.020 21.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28238 ATOM 28234 HW2 SOL 8887 35.340 63.940 21.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28239 ATOM 28235 OW SOL 8888 38.820 63.270 39.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28240 ATOM 28236 HW1 SOL 8888 38.050 63.390 38.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28241 ATOM 28237 HW2 SOL 8888 39.510 63.970 39.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28242 ATOM 28238 OW SOL 8889 38.430 59.240 49.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28243 ATOM 28239 HW1 SOL 8889 39.140 58.830 49.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28244 ATOM 28240 HW2 SOL 8889 37.620 58.660 49.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28245 ATOM 28241 OW SOL 8890 36.930 57.460 42.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28246 ATOM 28242 HW1 SOL 8890 36.330 57.710 43.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28247 ATOM 28243 HW2 SOL 8890 37.200 56.500 42.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28248 ATOM 28244 OW SOL 8891 43.440 68.650 50.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28249 ATOM 28245 HW1 SOL 8891 42.780 68.900 49.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28250 ATOM 28246 HW2 SOL 8891 44.010 69.440 50.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28251 ATOM 28247 OW SOL 8892 53.010 70.650 43.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28252 ATOM 28248 HW1 SOL 8892 52.190 70.810 43.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28253 ATOM 28249 HW2 SOL 8892 52.810 70.820 42.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28254 ATOM 28250 OW SOL 8893 48.460 63.710 43.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28255 ATOM 28251 HW1 SOL 8893 47.660 64.140 43.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28256 ATOM 28252 HW2 SOL 8893 49.250 64.320 43.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28257 ATOM 28253 OW SOL 8894 54.950 61.550 37.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28258 ATOM 28254 HW1 SOL 8894 55.150 61.340 36.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28259 ATOM 28255 HW2 SOL 8894 54.160 61.000 38.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28260 ATOM 28256 OW SOL 8895 44.500 67.020 48.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28261 ATOM 28257 HW1 SOL 8895 43.930 67.440 49.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28262 ATOM 28258 HW2 SOL 8895 44.030 67.080 47.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28263 ATOM 28259 OW SOL 8896 45.240 62.320 56.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28264 ATOM 28260 HW1 SOL 8896 45.320 62.490 57.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28265 ATOM 28261 HW2 SOL 8896 45.370 63.180 55.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28266 ATOM 28262 OW SOL 8897 46.100 64.700 44.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28267 ATOM 28263 HW1 SOL 8897 46.450 64.440 45.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28268 ATOM 28264 HW2 SOL 8897 45.100 64.670 44.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28269 ATOM 28265 OW SOL 8898 45.570 67.930 55.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28270 ATOM 28266 HW1 SOL 8898 45.520 68.870 56.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28271 ATOM 28267 HW2 SOL 8898 45.530 67.930 54.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28272 ATOM 28268 OW SOL 8899 41.500 69.320 49.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28273 ATOM 28269 HW1 SOL 8899 40.610 68.890 48.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28274 ATOM 28270 HW2 SOL 8899 41.800 69.810 48.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28275 ATOM 28271 OW SOL 8900 50.420 70.350 53.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28276 ATOM 28272 HW1 SOL 8900 50.070 69.680 54.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28277 ATOM 28273 HW2 SOL 8900 49.700 71.000 53.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28278 ATOM 28274 OW SOL 8901 40.780 59.980 53.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28279 ATOM 28275 HW1 SOL 8901 41.300 59.920 54.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28280 ATOM 28276 HW2 SOL 8901 39.800 60.030 53.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28281 ATOM 28277 OW SOL 8902 51.530 59.810 44.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28282 ATOM 28278 HW1 SOL 8902 51.170 58.890 44.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28283 ATOM 28279 HW2 SOL 8902 52.360 59.930 44.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28284 ATOM 28280 OW SOL 8903 48.760 68.660 55.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28285 ATOM 28281 HW1 SOL 8903 48.900 67.670 55.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28286 ATOM 28282 HW2 SOL 8903 48.010 68.850 54.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28287 ATOM 28283 OW SOL 8904 39.680 70.580 41.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28288 ATOM 28284 HW1 SOL 8904 39.350 71.390 40.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28289 ATOM 28285 HW2 SOL 8904 39.680 70.760 42.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28290 ATOM 28286 OW SOL 8905 40.780 66.950 46.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28291 ATOM 28287 HW1 SOL 8905 41.000 66.000 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28292 ATOM 28288 HW2 SOL 8905 39.930 67.200 47.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28293 ATOM 28289 OW SOL 8906 42.080 67.040 40.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28294 ATOM 28290 HW1 SOL 8906 41.820 68.000 40.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28295 ATOM 28291 HW2 SOL 8906 43.070 66.960 40.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28296 ATOM 28292 OW SOL 8907 50.820 57.930 51.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28297 ATOM 28293 HW1 SOL 8907 51.090 58.050 50.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28298 ATOM 28294 HW2 SOL 8907 50.020 58.490 51.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28299 ATOM 28295 OW SOL 8908 39.670 61.100 45.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28300 ATOM 28296 HW1 SOL 8908 39.760 60.570 45.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28301 ATOM 28297 HW2 SOL 8908 38.770 61.520 44.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28302 ATOM 28298 OW SOL 8909 37.090 70.670 37.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28303 ATOM 28299 HW1 SOL 8909 36.750 70.050 36.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28304 ATOM 28300 HW2 SOL 8909 36.810 70.330 38.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28305 ATOM 28301 OW SOL 8910 53.400 64.900 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28306 ATOM 28302 HW1 SOL 8910 53.820 64.490 43.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28307 ATOM 28303 HW2 SOL 8910 54.120 65.140 41.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28308 ATOM 28304 OW SOL 8911 53.380 67.650 40.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28309 ATOM 28305 HW1 SOL 8911 54.000 66.870 40.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28310 ATOM 28306 HW2 SOL 8911 53.910 68.500 40.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28311 ATOM 28307 OW SOL 8912 37.800 65.270 52.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28312 ATOM 28308 HW1 SOL 8912 38.250 65.480 52.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28313 ATOM 28309 HW2 SOL 8912 36.810 65.350 52.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28314 ATOM 28310 OW SOL 8913 43.410 67.390 46.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28315 ATOM 28311 HW1 SOL 8913 42.470 67.430 46.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28316 ATOM 28312 HW2 SOL 8913 43.570 68.170 45.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28317 ATOM 28313 OW SOL 8914 49.320 66.160 54.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28318 ATOM 28314 HW1 SOL 8914 49.360 65.390 55.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28319 ATOM 28315 HW2 SOL 8914 50.240 66.440 54.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28320 ATOM 28316 OW SOL 8915 44.100 57.910 42.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28321 ATOM 28317 HW1 SOL 8915 44.610 58.300 41.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28322 ATOM 28318 HW2 SOL 8915 43.640 58.650 43.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28323 ATOM 28319 OW SOL 8916 39.310 65.670 50.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28324 ATOM 28320 HW1 SOL 8916 40.180 65.200 50.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28325 ATOM 28321 HW2 SOL 8916 39.080 66.260 50.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28326 ATOM 28322 OW SOL 8917 53.530 64.440 37.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28327 ATOM 28323 HW1 SOL 8917 53.900 63.580 37.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28328 ATOM 28324 HW2 SOL 8917 52.730 64.250 38.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28329 ATOM 28325 OW SOL 8918 41.630 59.110 55.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28330 ATOM 28326 HW1 SOL 8918 41.370 59.870 56.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28331 ATOM 28327 HW2 SOL 8918 40.870 58.470 55.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28332 ATOM 28328 OW SOL 8919 51.230 68.940 47.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28333 ATOM 28329 HW1 SOL 8919 52.080 69.170 48.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28334 ATOM 28330 HW2 SOL 8919 51.230 67.970 47.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28335 ATOM 28331 OW SOL 8920 42.200 63.150 40.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28336 ATOM 28332 HW1 SOL 8920 42.570 62.220 40.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28337 ATOM 28333 HW2 SOL 8920 42.840 63.770 40.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28338 ATOM 28334 OW SOL 8921 50.940 61.210 48.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28339 ATOM 28335 HW1 SOL 8921 51.300 61.700 49.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28340 ATOM 28336 HW2 SOL 8921 50.980 60.230 48.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28341 ATOM 28337 OW SOL 8922 50.500 71.920 38.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28342 ATOM 28338 HW1 SOL 8922 49.540 72.140 38.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28343 ATOM 28339 HW2 SOL 8922 51.060 72.020 37.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28344 ATOM 28340 OW SOL 8923 44.530 61.520 51.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28345 ATOM 28341 HW1 SOL 8923 44.180 61.410 52.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28346 ATOM 28342 HW2 SOL 8923 43.970 61.010 50.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28347 ATOM 28343 OW SOL 8924 50.940 61.300 55.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28348 ATOM 28344 HW1 SOL 8924 50.670 61.650 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28349 ATOM 28345 HW2 SOL 8924 51.410 60.420 55.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28350 ATOM 28346 OW SOL 8925 45.680 64.610 54.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28351 ATOM 28347 HW1 SOL 8925 46.290 64.120 53.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28352 ATOM 28348 HW2 SOL 8925 45.130 65.260 53.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28353 ATOM 28349 OW SOL 8926 46.160 59.380 48.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28354 ATOM 28350 HW1 SOL 8926 45.870 60.180 49.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28355 ATOM 28351 HW2 SOL 8926 47.010 59.590 48.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28356 ATOM 28352 OW SOL 8927 47.740 63.570 40.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28357 ATOM 28353 HW1 SOL 8927 47.980 63.830 41.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28358 ATOM 28354 HW2 SOL 8927 46.780 63.270 40.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28359 ATOM 28355 OW SOL 8928 38.520 63.530 47.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28360 ATOM 28356 HW1 SOL 8928 39.480 63.550 47.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28361 ATOM 28357 HW2 SOL 8928 38.120 64.430 47.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28362 ATOM 28358 OW SOL 8929 38.200 0.960 53.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28363 ATOM 28359 HW1 SOL 8929 37.320 0.690 54.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28364 ATOM 28360 HW2 SOL 8929 38.360 0.430 52.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28365 ATOM 28361 OW SOL 8930 44.840 59.710 38.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28366 ATOM 28362 HW1 SOL 8930 45.340 60.540 37.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28367 ATOM 28363 HW2 SOL 8930 45.100 58.950 37.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28368 ATOM 28364 OW SOL 8931 54.860 62.150 56.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28369 ATOM 28365 HW1 SOL 8931 54.930 61.430 55.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28370 ATOM 28366 HW2 SOL 8931 54.710 63.030 55.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28371 ATOM 28367 OW SOL 8932 50.720 67.290 40.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28372 ATOM 28368 HW1 SOL 8932 51.650 67.510 40.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28373 ATOM 28369 HW2 SOL 8932 50.430 67.950 39.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28374 ATOM 28370 OW SOL 8933 44.000 56.880 47.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28375 ATOM 28371 HW1 SOL 8933 43.700 57.160 48.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28376 ATOM 28372 HW2 SOL 8933 43.890 57.650 46.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28377 ATOM 28373 OW SOL 8934 48.260 70.280 41.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28378 ATOM 28374 HW1 SOL 8934 48.870 71.070 41.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28379 ATOM 28375 HW2 SOL 8934 48.250 69.820 42.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28380 ATOM 28376 OW SOL 8935 38.730 70.580 45.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28381 ATOM 28377 HW1 SOL 8935 38.000 70.690 46.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28382 ATOM 28378 HW2 SOL 8935 39.540 70.200 45.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28383 ATOM 28379 OW SOL 8936 54.530 68.200 45.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28384 ATOM 28380 HW1 SOL 8936 54.220 69.010 46.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28385 ATOM 28381 HW2 SOL 8936 53.810 67.900 45.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28386 ATOM 28382 OW SOL 8937 48.450 72.180 52.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28387 ATOM 28383 HW1 SOL 8937 47.890 72.730 53.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28388 ATOM 28384 HW2 SOL 8937 48.850 72.770 52.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28389 ATOM 28385 OW SOL 8938 40.050 63.840 41.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28390 ATOM 28386 HW1 SOL 8938 39.130 63.680 41.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28391 ATOM 28387 HW2 SOL 8938 40.730 63.540 41.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28392 ATOM 28388 OW SOL 8939 50.910 64.900 43.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28393 ATOM 28389 HW1 SOL 8939 51.000 64.100 44.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28394 ATOM 28390 HW2 SOL 8939 51.620 64.870 43.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28395 ATOM 28391 OW SOL 8940 43.090 69.370 55.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28396 ATOM 28392 HW1 SOL 8940 43.320 68.540 54.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28397 ATOM 28393 HW2 SOL 8940 42.740 69.120 56.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28398 ATOM 28394 OW SOL 8941 38.130 60.500 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28399 ATOM 28395 HW1 SOL 8941 37.680 60.220 52.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28400 ATOM 28396 HW2 SOL 8941 37.910 59.840 54.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28401 ATOM 28397 OW SOL 8942 53.030 69.540 38.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28402 ATOM 28398 HW1 SOL 8942 52.930 70.200 37.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28403 ATOM 28399 HW2 SOL 8942 53.010 68.610 37.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28404 ATOM 28400 OW SOL 8943 48.940 56.700 41.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28405 ATOM 28401 HW1 SOL 8943 49.270 56.640 40.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28406 ATOM 28402 HW2 SOL 8943 49.340 55.950 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28407 ATOM 28403 OW SOL 8944 41.850 60.980 43.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28408 ATOM 28404 HW1 SOL 8944 41.540 60.300 42.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28409 ATOM 28405 HW2 SOL 8944 41.100 61.190 44.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28410 ATOM 28406 OW SOL 8945 53.390 55.320 57.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28411 ATOM 28407 HW1 SOL 8945 53.170 56.270 57.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28412 ATOM 28408 HW2 SOL 8945 52.540 54.810 57.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28413 ATOM 28409 OW SOL 8946 45.010 55.670 39.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28414 ATOM 28410 HW1 SOL 8946 45.460 56.490 40.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28415 ATOM 28411 HW2 SOL 8946 44.020 55.780 39.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28416 ATOM 28412 OW SOL 8947 44.080 58.360 54.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28417 ATOM 28413 HW1 SOL 8947 44.620 57.560 55.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28418 ATOM 28414 HW2 SOL 8947 43.330 58.480 55.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28419 ATOM 28415 OW SOL 8948 46.200 69.080 48.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28420 ATOM 28416 HW1 SOL 8948 46.970 68.920 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28421 ATOM 28417 HW2 SOL 8948 45.680 68.230 48.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28422 ATOM 28418 OW SOL 8949 49.550 61.620 53.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28423 ATOM 28419 HW1 SOL 8949 50.050 61.450 54.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28424 ATOM 28420 HW2 SOL 8949 50.120 62.160 52.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28425 ATOM 28421 OW SOL 8950 48.030 68.300 46.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28426 ATOM 28422 HW1 SOL 8950 48.250 68.660 45.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28427 ATOM 28423 HW2 SOL 8950 48.320 67.340 46.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28428 ATOM 28424 OW SOL 8951 47.400 59.320 44.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28429 ATOM 28425 HW1 SOL 8951 46.950 59.870 44.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28430 ATOM 28426 HW2 SOL 8951 46.770 58.630 45.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28431 ATOM 28427 OW SOL 8952 42.350 56.410 40.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28432 ATOM 28428 HW1 SOL 8952 42.230 56.390 41.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28433 ATOM 28429 HW2 SOL 8952 41.970 57.260 40.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28434 ATOM 28430 OW SOL 8953 53.310 67.190 36.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28435 ATOM 28431 HW1 SOL 8953 53.580 66.240 36.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28436 ATOM 28432 HW2 SOL 8953 52.320 67.260 36.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28437 ATOM 28433 OW SOL 8954 37.610 54.100 39.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28438 ATOM 28434 HW1 SOL 8954 37.040 53.440 38.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28439 ATOM 28435 HW2 SOL 8954 38.290 54.480 38.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28440 ATOM 28436 OW SOL 8955 45.720 58.410 40.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28441 ATOM 28437 HW1 SOL 8955 45.310 59.040 39.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28442 ATOM 28438 HW2 SOL 8955 46.640 58.720 40.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28443 ATOM 28439 OW SOL 8956 47.010 62.740 52.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28444 ATOM 28440 HW1 SOL 8956 46.400 62.090 52.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28445 ATOM 28441 HW2 SOL 8956 47.800 62.260 53.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28446 ATOM 28442 OW SOL 8957 51.110 70.220 45.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28447 ATOM 28443 HW1 SOL 8957 51.400 71.080 45.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28448 ATOM 28444 HW2 SOL 8957 51.180 69.480 45.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28449 ATOM 28445 OW SOL 8958 43.470 65.260 44.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28450 ATOM 28446 HW1 SOL 8958 43.250 65.770 45.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28451 ATOM 28447 HW2 SOL 8958 42.850 65.540 43.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28452 ATOM 28448 OW SOL 8959 46.190 62.020 37.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28453 ATOM 28449 HW1 SOL 8959 46.330 62.810 37.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28454 ATOM 28450 HW2 SOL 8959 47.070 61.670 38.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28455 ATOM 28451 OW SOL 8960 38.150 62.040 50.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28456 ATOM 28452 HW1 SOL 8960 38.790 61.460 50.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28457 ATOM 28453 HW2 SOL 8960 38.640 62.600 49.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28458 ATOM 28454 OW SOL 8961 43.070 57.390 49.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28459 ATOM 28455 HW1 SOL 8961 43.580 57.510 50.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28460 ATOM 28456 HW2 SOL 8961 42.140 57.100 50.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28461 ATOM 28457 OW SOL 8962 45.830 60.580 43.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28462 ATOM 28458 HW1 SOL 8962 45.390 61.050 43.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28463 ATOM 28459 HW2 SOL 8962 45.830 61.180 42.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28464 ATOM 28460 OW SOL 8963 48.360 54.640 45.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28465 ATOM 28461 HW1 SOL 8963 47.590 55.240 45.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28466 ATOM 28462 HW2 SOL 8963 48.370 53.880 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28467 ATOM 28463 OW SOL 8964 51.060 66.480 46.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28468 ATOM 28464 HW1 SOL 8964 51.410 66.610 45.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28469 ATOM 28465 HW2 SOL 8964 50.080 66.270 46.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28470 ATOM 28466 OW SOL 8965 50.640 62.390 45.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28471 ATOM 28467 HW1 SOL 8965 50.530 62.630 46.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28472 ATOM 28468 HW2 SOL 8965 50.730 61.400 45.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28473 ATOM 28469 OW SOL 8966 56.190 62.580 39.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28474 ATOM 28470 HW1 SOL 8966 56.090 62.260 40.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28475 ATOM 28471 HW2 SOL 8966 55.500 62.140 39.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28476 ATOM 28472 OW SOL 8967 44.250 69.660 41.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28477 ATOM 28473 HW1 SOL 8967 44.450 68.690 41.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28478 ATOM 28474 HW2 SOL 8967 43.460 69.790 41.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28479 ATOM 28475 OW SOL 8968 53.090 67.880 43.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28480 ATOM 28476 HW1 SOL 8968 53.130 68.870 43.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28481 ATOM 28477 HW2 SOL 8968 52.950 67.480 42.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28482 ATOM 28478 OW SOL 8969 50.310 61.240 36.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28483 ATOM 28479 HW1 SOL 8969 49.570 61.290 37.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28484 ATOM 28480 HW2 SOL 8969 51.180 61.070 37.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28485 ATOM 28481 OW SOL 8970 43.130 60.430 40.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28486 ATOM 28482 HW1 SOL 8970 42.380 59.960 40.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28487 ATOM 28483 HW2 SOL 8970 43.540 59.820 39.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28488 ATOM 28484 OW SOL 8971 53.450 68.110 52.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28489 ATOM 28485 HW1 SOL 8971 53.860 67.280 51.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28490 ATOM 28486 HW2 SOL 8971 54.070 68.880 51.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28491 ATOM 28487 OW SOL 8972 47.950 66.630 52.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28492 ATOM 28488 HW1 SOL 8972 47.130 67.100 52.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28493 ATOM 28489 HW2 SOL 8972 48.450 66.290 52.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28494 ATOM 28490 OW SOL 8973 52.580 71.870 53.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28495 ATOM 28491 HW1 SOL 8973 52.360 72.570 52.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28496 ATOM 28492 HW2 SOL 8973 51.780 71.270 53.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28497 ATOM 28493 OW SOL 8974 49.060 68.560 50.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28498 ATOM 28494 HW1 SOL 8974 48.390 68.140 50.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28499 ATOM 28495 HW2 SOL 8974 48.590 68.910 49.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28500 ATOM 28496 OW SOL 8975 52.730 65.790 48.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28501 ATOM 28497 HW1 SOL 8975 52.620 66.390 49.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28502 ATOM 28498 HW2 SOL 8975 52.030 66.020 47.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28503 ATOM 28499 OW SOL 8976 46.690 56.490 49.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28504 ATOM 28500 HW1 SOL 8976 46.060 57.110 49.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28505 ATOM 28501 HW2 SOL 8976 46.840 56.780 50.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28506 ATOM 28502 OW SOL 8977 46.460 65.610 56.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28507 ATOM 28503 HW1 SOL 8977 46.180 66.580 56.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28508 ATOM 28504 HW2 SOL 8977 46.210 65.170 55.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28509 ATOM 28505 OW SOL 8978 44.910 66.860 40.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28510 ATOM 28506 HW1 SOL 8978 45.510 66.660 39.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28511 ATOM 28507 HW2 SOL 8978 45.350 66.600 40.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28512 ATOM 28508 OW SOL 8979 41.400 64.030 50.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28513 ATOM 28509 HW1 SOL 8979 42.240 64.260 50.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28514 ATOM 28510 HW2 SOL 8979 41.250 63.040 50.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28515 ATOM 28511 OW SOL 8980 48.310 60.140 51.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28516 ATOM 28512 HW1 SOL 8980 48.700 60.500 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28517 ATOM 28513 HW2 SOL 8980 48.770 60.560 50.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28518 ATOM 28514 OW SOL 8981 38.010 72.080 51.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28519 ATOM 28515 HW1 SOL 8981 37.230 71.730 51.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28520 ATOM 28516 HW2 SOL 8981 38.860 71.720 51.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28521 ATOM 28517 OW SOL 8982 41.640 65.910 42.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28522 ATOM 28518 HW1 SOL 8982 41.970 66.250 41.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28523 ATOM 28519 HW2 SOL 8982 41.000 65.160 42.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28524 ATOM 28520 OW SOL 8983 43.790 59.290 46.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28525 ATOM 28521 HW1 SOL 8983 44.490 60.000 46.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28526 ATOM 28522 HW2 SOL 8983 42.900 59.710 46.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28527 ATOM 28523 OW SOL 8984 49.650 69.360 38.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28528 ATOM 28524 HW1 SOL 8984 50.090 70.240 38.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28529 ATOM 28525 HW2 SOL 8984 48.660 69.460 38.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28530 ATOM 28526 OW SOL 8985 50.540 71.090 50.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28531 ATOM 28527 HW1 SOL 8985 49.970 71.910 50.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28532 ATOM 28528 HW2 SOL 8985 49.970 70.290 50.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28533 ATOM 28529 OW SOL 8986 51.360 61.520 41.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28534 ATOM 28530 HW1 SOL 8986 52.220 61.250 41.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28535 ATOM 28531 HW2 SOL 8986 50.640 61.530 41.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28536 ATOM 28532 OW SOL 8987 40.670 71.390 50.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28537 ATOM 28533 HW1 SOL 8987 41.100 70.810 50.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28538 ATOM 28534 HW2 SOL 8987 41.270 71.470 51.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28539 ATOM 28535 OW SOL 8988 42.610 63.380 53.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28540 ATOM 28536 HW1 SOL 8988 42.970 63.700 52.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28541 ATOM 28537 HW2 SOL 8988 42.760 62.390 53.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28542 ATOM 28538 OW SOL 8989 54.390 64.420 54.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28543 ATOM 28539 HW1 SOL 8989 53.760 64.410 54.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28544 ATOM 28540 HW2 SOL 8989 54.880 65.290 54.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28545 ATOM 28541 OW SOL 8990 45.990 56.190 55.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28546 ATOM 28542 HW1 SOL 8990 46.970 56.230 55.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28547 ATOM 28543 HW2 SOL 8990 45.730 55.260 55.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28548 ATOM 28544 OW SOL 8991 40.730 56.740 52.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28549 ATOM 28545 HW1 SOL 8991 40.040 56.030 53.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28550 ATOM 28546 HW2 SOL 8991 40.650 57.440 53.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28551 ATOM 28547 OW SOL 8992 44.960 63.980 48.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28552 ATOM 28548 HW1 SOL 8992 44.660 64.920 48.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28553 ATOM 28549 HW2 SOL 8992 45.770 63.990 48.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28554 ATOM 28550 OW SOL 8993 48.490 65.610 47.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28555 ATOM 28551 HW1 SOL 8993 48.130 64.860 46.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28556 ATOM 28552 HW2 SOL 8993 48.470 65.320 48.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28557 ATOM 28553 OW SOL 8994 48.720 61.620 39.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28558 ATOM 28554 HW1 SOL 8994 48.620 60.780 39.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28559 ATOM 28555 HW2 SOL 8994 48.710 62.400 39.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28560 ATOM 28556 OW SOL 8995 40.130 57.120 50.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28561 ATOM 28557 HW1 SOL 8995 40.240 57.220 51.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28562 ATOM 28558 HW2 SOL 8995 39.650 56.270 50.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28563 ATOM 28559 OW SOL 8996 37.490 69.060 50.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28564 ATOM 28560 HW1 SOL 8996 37.900 68.920 51.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28565 ATOM 28561 HW2 SOL 8996 36.760 69.740 50.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28566 ATOM 28562 OW SOL 8997 43.210 62.370 47.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28567 ATOM 28563 HW1 SOL 8997 43.480 62.260 46.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28568 ATOM 28564 HW2 SOL 8997 43.740 63.110 47.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28569 ATOM 28565 OW SOL 8998 57.830 63.780 55.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28570 ATOM 28566 HW1 SOL 8998 57.030 63.750 56.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28571 ATOM 28567 HW2 SOL 8998 58.660 63.650 56.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28572 ATOM 28568 OW SOL 8999 41.500 56.110 43.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28573 ATOM 28569 HW1 SOL 8999 41.000 56.590 43.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28574 ATOM 28570 HW2 SOL 8999 42.400 55.840 43.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28575 ATOM 28571 OW SOL 9000 52.390 60.580 38.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28576 ATOM 28572 HW1 SOL 9000 52.330 59.580 38.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28577 ATOM 28573 HW2 SOL 9000 51.990 60.980 39.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28578 ATOM 28574 OW SOL 9001 48.310 60.620 47.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28579 ATOM 28575 HW1 SOL 9001 49.270 60.580 47.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28580 ATOM 28576 HW2 SOL 9001 48.230 60.240 46.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28581 ATOM 28577 OW SOL 9002 46.090 0.560 54.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28582 ATOM 28578 HW1 SOL 9002 45.710 1.400 54.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28583 ATOM 28579 HW2 SOL 9002 45.620 -0.230 54.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28584 ATOM 28580 OW SOL 9003 53.170 71.180 49.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28585 ATOM 28581 HW1 SOL 9003 52.200 71.000 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28586 ATOM 28582 HW2 SOL 9003 53.350 72.150 50.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28587 ATOM 28583 OW SOL 9004 42.070 65.660 56.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28588 ATOM 28584 HW1 SOL 9004 42.930 65.970 56.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28589 ATOM 28585 HW2 SOL 9004 42.280 65.010 55.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28590 ATOM 28586 OW SOL 9005 52.050 57.210 38.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28591 ATOM 28587 HW1 SOL 9005 51.070 57.380 38.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28592 ATOM 28588 HW2 SOL 9005 52.270 56.320 39.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28593 ATOM 28589 OW SOL 9006 50.010 63.390 35.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28594 ATOM 28590 HW1 SOL 9006 50.080 62.550 35.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28595 ATOM 28591 HW2 SOL 9006 50.920 63.670 34.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28596 ATOM 28592 OW SOL 9007 48.650 69.360 44.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28597 ATOM 28593 HW1 SOL 9007 49.010 68.580 43.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28598 ATOM 28594 HW2 SOL 9007 49.410 69.940 44.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28599 ATOM 28595 OW SOL 9008 41.280 64.420 47.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28600 ATOM 28596 HW1 SOL 9008 41.250 64.440 48.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28601 ATOM 28597 HW2 SOL 9008 41.810 63.630 47.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28602 ATOM 28598 OW SOL 9009 40.300 59.330 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28603 ATOM 28599 HW1 SOL 9009 39.720 59.460 47.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28604 ATOM 28600 HW2 SOL 9009 40.590 58.370 46.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28605 ATOM 28601 OW SOL 9010 48.240 58.280 54.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28606 ATOM 28602 HW1 SOL 9010 48.030 59.090 55.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28607 ATOM 28603 HW2 SOL 9010 49.140 58.380 54.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28608 ATOM 28604 OW SOL 9011 47.200 57.610 52.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28609 ATOM 28605 HW1 SOL 9011 47.610 57.510 52.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28610 ATOM 28606 HW2 SOL 9011 47.260 58.570 51.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28611 ATOM 28607 OW SOL 9012 37.800 66.290 40.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28612 ATOM 28608 HW1 SOL 9012 37.390 65.520 39.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28613 ATOM 28609 HW2 SOL 9012 37.620 66.190 41.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28614 ATOM 28610 OW SOL 9013 42.400 70.830 47.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28615 ATOM 28611 HW1 SOL 9013 42.350 71.720 46.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28616 ATOM 28612 HW2 SOL 9013 43.190 70.320 46.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28617 ATOM 28613 OW SOL 9014 47.190 63.610 50.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28618 ATOM 28614 HW1 SOL 9014 48.010 64.180 50.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28619 ATOM 28615 HW2 SOL 9014 47.060 63.310 51.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28620 ATOM 28616 OW SOL 9015 37.270 61.080 47.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28621 ATOM 28617 HW1 SOL 9015 37.440 61.980 47.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28622 ATOM 28618 HW2 SOL 9015 37.480 60.370 47.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28623 ATOM 28619 OW SOL 9016 38.930 63.100 54.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28624 ATOM 28620 HW1 SOL 9016 38.670 62.160 53.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28625 ATOM 28621 HW2 SOL 9016 38.530 63.730 53.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28626 ATOM 28622 OW SOL 9017 52.040 64.380 53.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28627 ATOM 28623 HW1 SOL 9017 51.970 65.300 53.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28628 ATOM 28624 HW2 SOL 9017 51.520 63.740 52.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28629 ATOM 28625 OW SOL 9018 45.390 61.830 40.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28630 ATOM 28626 HW1 SOL 9018 45.860 61.530 39.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28631 ATOM 28627 HW2 SOL 9018 44.530 61.330 40.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28632 ATOM 28628 OW SOL 9019 53.460 60.450 46.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28633 ATOM 28629 HW1 SOL 9019 52.830 60.980 47.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28634 ATOM 28630 HW2 SOL 9019 53.870 59.720 47.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28635 ATOM 28631 OW SOL 9020 35.750 0.210 54.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28636 ATOM 28632 HW1 SOL 9020 35.200 0.680 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28637 ATOM 28633 HW2 SOL 9020 35.150 -0.120 55.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28638 ATOM 28634 OW SOL 9021 43.110 60.230 49.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28639 ATOM 28635 HW1 SOL 9021 43.550 59.370 48.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28640 ATOM 28636 HW2 SOL 9021 43.120 60.850 48.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28641 ATOM 28637 OW SOL 9022 38.720 60.350 39.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28642 ATOM 28638 HW1 SOL 9022 37.780 60.290 39.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28643 ATOM 28639 HW2 SOL 9022 39.070 61.270 39.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28644 ATOM 28640 OW SOL 9023 40.980 65.590 53.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28645 ATOM 28641 HW1 SOL 9023 41.130 64.640 53.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28646 ATOM 28642 HW2 SOL 9023 40.140 65.670 52.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28647 ATOM 28643 OW SOL 9024 49.420 65.160 50.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28648 ATOM 28644 HW1 SOL 9024 50.280 65.590 49.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28649 ATOM 28645 HW2 SOL 9024 48.820 65.850 50.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28650 ATOM 28646 OW SOL 9025 51.750 63.730 39.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28651 ATOM 28647 HW1 SOL 9025 52.140 64.330 40.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28652 ATOM 28648 HW2 SOL 9025 51.330 62.930 40.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28653 ATOM 28649 OW SOL 9026 57.040 0.490 46.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28654 ATOM 28650 HW1 SOL 9026 57.890 -0.040 45.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28655 ATOM 28651 HW2 SOL 9026 56.330 0.020 45.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28656 ATOM 28652 OW SOL 9027 48.690 71.440 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28657 ATOM 28653 HW1 SOL 9027 48.380 71.000 47.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28658 ATOM 28654 HW2 SOL 9027 49.600 71.110 48.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28659 ATOM 28655 OW SOL 9028 38.830 67.660 48.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28660 ATOM 28656 HW1 SOL 9028 38.290 68.300 48.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28661 ATOM 28657 HW2 SOL 9028 38.230 67.050 47.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28662 ATOM 28658 OW SOL 9029 55.340 57.820 41.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28663 ATOM 28659 HW1 SOL 9029 55.200 58.030 40.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28664 ATOM 28660 HW2 SOL 9029 54.580 57.280 41.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28665 ATOM 28661 OW SOL 9030 52.040 70.610 40.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28666 ATOM 28662 HW1 SOL 9030 52.470 70.150 39.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28667 ATOM 28663 HW2 SOL 9030 51.410 71.310 40.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28668 ATOM 28664 OW SOL 9031 34.320 3.130 54.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28669 ATOM 28665 HW1 SOL 9031 33.540 2.790 53.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28670 ATOM 28666 HW2 SOL 9031 34.850 3.760 53.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28671 ATOM 28667 OW SOL 9032 49.430 67.130 42.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28672 ATOM 28668 HW1 SOL 9032 50.070 66.470 43.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28673 ATOM 28669 HW2 SOL 9032 49.690 67.360 41.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28674 ATOM 28670 OW SOL 9033 46.700 70.190 53.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28675 ATOM 28671 HW1 SOL 9033 46.130 70.570 54.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28676 ATOM 28672 HW2 SOL 9033 47.310 70.910 53.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28677 ATOM 28673 OW SOL 9034 41.960 69.960 40.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28678 ATOM 28674 HW1 SOL 9034 42.180 70.550 39.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28679 ATOM 28675 HW2 SOL 9034 41.090 70.260 40.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28680 ATOM 28676 OW SOL 9035 54.980 56.590 46.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28681 ATOM 28677 HW1 SOL 9035 55.280 55.650 46.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28682 ATOM 28678 HW2 SOL 9035 54.800 56.700 45.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28683 ATOM 28679 OW SOL 9036 39.560 57.190 44.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28684 ATOM 28680 HW1 SOL 9036 38.710 57.710 44.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28685 ATOM 28681 HW2 SOL 9036 39.730 57.060 45.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28686 ATOM 28682 OW SOL 9037 47.950 72.100 37.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28687 ATOM 28683 HW1 SOL 9037 47.250 71.430 37.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28688 ATOM 28684 HW2 SOL 9037 48.370 72.480 36.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28689 ATOM 28685 OW SOL 9038 45.600 67.790 53.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28690 ATOM 28686 HW1 SOL 9038 44.680 67.600 52.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28691 ATOM 28687 HW2 SOL 9038 45.810 68.760 53.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28692 ATOM 28688 OW SOL 9039 49.420 65.170 38.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28693 ATOM 28689 HW1 SOL 9039 49.400 64.170 38.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28694 ATOM 28690 HW2 SOL 9039 49.940 65.540 39.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28695 ATOM 28691 OW SOL 9040 42.920 67.500 53.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28696 ATOM 28692 HW1 SOL 9040 42.890 68.090 52.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28697 ATOM 28693 HW2 SOL 9040 42.120 66.900 53.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28698 ATOM 28694 OW SOL 9041 51.520 67.210 50.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28699 ATOM 28695 HW1 SOL 9041 52.090 67.670 51.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28700 ATOM 28696 HW2 SOL 9041 50.900 67.880 50.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28701 ATOM 28697 OW SOL 9042 46.370 67.270 42.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28702 ATOM 28698 HW1 SOL 9042 46.310 66.550 43.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28703 ATOM 28699 HW2 SOL 9042 47.300 67.310 41.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28704 ATOM 28700 OW SOL 9043 49.680 57.600 45.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28705 ATOM 28701 HW1 SOL 9043 49.220 56.960 45.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28706 ATOM 28702 HW2 SOL 9043 49.060 58.360 44.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28707 ATOM 28703 OW SOL 9044 44.390 69.840 45.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28708 ATOM 28704 HW1 SOL 9044 44.540 69.610 44.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28709 ATOM 28705 HW2 SOL 9044 45.240 70.220 45.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28710 ATOM 28706 OW SOL 9045 53.840 56.840 51.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28711 ATOM 28707 HW1 SOL 9045 53.540 57.730 51.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28712 ATOM 28708 HW2 SOL 9045 54.080 56.240 51.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28713 ATOM 28709 OW SOL 9046 39.640 68.440 39.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28714 ATOM 28710 HW1 SOL 9046 39.320 67.550 39.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28715 ATOM 28711 HW2 SOL 9046 39.860 69.000 40.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28716 ATOM 28712 OW SOL 9047 38.720 67.060 54.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28717 ATOM 28713 HW1 SOL 9047 38.230 66.440 54.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28718 ATOM 28714 HW2 SOL 9047 39.650 66.740 54.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28719 ATOM 28715 OW SOL 9048 44.290 57.460 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28720 ATOM 28716 HW1 SOL 9048 45.280 57.580 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28721 ATOM 28717 HW2 SOL 9048 43.820 58.030 52.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28722 ATOM 28718 OW SOL 9049 38.690 59.750 36.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28723 ATOM 28719 HW1 SOL 9049 37.780 59.850 37.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28724 ATOM 28720 HW2 SOL 9049 38.860 60.480 36.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28725 ATOM 28721 OW SOL 9050 50.970 62.960 51.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28726 ATOM 28722 HW1 SOL 9050 50.310 63.600 51.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28727 ATOM 28723 HW2 SOL 9050 51.840 63.010 50.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28728 ATOM 28724 OW SOL 9051 35.150 55.400 39.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28729 ATOM 28725 HW1 SOL 9051 34.760 55.130 38.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28730 ATOM 28726 HW2 SOL 9051 36.030 54.940 39.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28731 ATOM 28727 OW SOL 9052 50.590 67.260 36.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28732 ATOM 28728 HW1 SOL 9052 50.170 66.450 37.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28733 ATOM 28729 HW2 SOL 9052 50.200 68.080 37.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28734 ATOM 28730 OW SOL 9053 43.930 64.300 51.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28735 ATOM 28731 HW1 SOL 9053 44.710 64.910 51.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28736 ATOM 28732 HW2 SOL 9053 44.210 63.360 51.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28737 ATOM 28733 OW SOL 9054 51.490 0.410 46.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28738 ATOM 28734 HW1 SOL 9054 50.530 0.580 45.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28739 ATOM 28735 HW2 SOL 9054 51.830 1.180 46.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28740 ATOM 28736 OW SOL 9055 44.000 60.980 53.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28741 ATOM 28737 HW1 SOL 9055 44.610 61.570 54.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28742 ATOM 28738 HW2 SOL 9055 43.970 60.070 54.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28743 ATOM 28739 OW SOL 9056 51.660 67.330 53.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28744 ATOM 28740 HW1 SOL 9056 51.980 67.880 54.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28745 ATOM 28741 HW2 SOL 9056 52.190 67.570 53.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28746 ATOM 28742 OW SOL 9057 53.480 63.670 46.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28747 ATOM 28743 HW1 SOL 9057 53.520 62.900 47.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28748 ATOM 28744 HW2 SOL 9057 53.280 64.510 47.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28749 ATOM 28745 OW SOL 9058 48.270 59.230 41.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28750 ATOM 28746 HW1 SOL 9058 48.430 58.280 41.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28751 ATOM 28747 HW2 SOL 9058 48.630 59.840 41.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28752 ATOM 28748 OW SOL 9059 43.620 62.350 44.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28753 ATOM 28749 HW1 SOL 9059 43.310 63.290 44.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28754 ATOM 28750 HW2 SOL 9059 42.970 61.750 44.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28755 ATOM 28751 OW SOL 9060 52.920 59.350 55.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28756 ATOM 28752 HW1 SOL 9060 53.820 59.760 55.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28757 ATOM 28753 HW2 SOL 9060 52.920 58.880 56.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28758 ATOM 28754 OW SOL 9061 53.120 61.610 49.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28759 ATOM 28755 HW1 SOL 9061 53.680 62.430 49.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28760 ATOM 28756 HW2 SOL 9061 53.480 60.870 50.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28761 ATOM 28757 OW SOL 9062 46.910 68.910 37.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28762 ATOM 28758 HW1 SOL 9062 46.600 69.390 37.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28763 ATOM 28759 HW2 SOL 9062 46.840 67.930 37.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28764 ATOM 28760 OW SOL 9063 47.200 63.390 46.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28765 ATOM 28761 HW1 SOL 9063 47.330 62.420 46.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28766 ATOM 28762 HW2 SOL 9063 46.390 63.500 47.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28767 ATOM 28763 OW SOL 9064 48.360 65.210 34.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28768 ATOM 28764 HW1 SOL 9064 48.190 65.010 33.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28769 ATOM 28765 HW2 SOL 9064 48.990 64.520 34.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28770 ATOM 28766 OW SOL 9065 54.790 72.060 44.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28771 ATOM 28767 HW1 SOL 9065 54.470 71.690 43.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28772 ATOM 28768 HW2 SOL 9065 54.600 71.400 45.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28773 ATOM 28769 OW SOL 9066 42.170 68.550 57.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28774 ATOM 28770 HW1 SOL 9066 42.910 67.890 58.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28775 ATOM 28771 HW2 SOL 9066 41.290 68.070 57.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28776 ATOM 28772 OW SOL 9067 41.030 68.050 44.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28777 ATOM 28773 HW1 SOL 9067 40.920 67.760 45.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28778 ATOM 28774 HW2 SOL 9067 41.150 67.240 43.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28779 ATOM 28775 OW SOL 9068 42.280 70.930 53.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28780 ATOM 28776 HW1 SOL 9068 42.550 70.250 54.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28781 ATOM 28777 HW2 SOL 9068 41.580 71.530 53.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28782 ATOM 28778 OW SOL 9069 54.540 58.530 48.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28783 ATOM 28779 HW1 SOL 9069 54.720 57.860 47.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28784 ATOM 28780 HW2 SOL 9069 55.370 58.710 48.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28785 ATOM 28781 OW SOL 9070 40.990 59.110 41.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28786 ATOM 28782 HW1 SOL 9070 40.130 59.430 41.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28787 ATOM 28783 HW2 SOL 9070 40.890 58.170 42.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28788 ATOM 28784 OW SOL 9071 53.490 70.950 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28789 ATOM 28785 HW1 SOL 9071 53.280 71.920 46.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28790 ATOM 28786 HW2 SOL 9071 53.830 70.790 47.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28791 ATOM 28787 OW SOL 9072 41.020 61.010 50.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28792 ATOM 28788 HW1 SOL 9072 41.110 60.880 51.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28793 ATOM 28789 HW2 SOL 9072 41.790 60.570 50.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28794 ATOM 28790 OW SOL 9073 47.030 71.280 45.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28795 ATOM 28791 HW1 SOL 9073 46.200 71.400 44.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28796 ATOM 28792 HW2 SOL 9073 47.540 70.480 44.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28797 ATOM 28793 OW SOL 9074 51.690 58.260 48.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28798 ATOM 28794 HW1 SOL 9074 51.480 57.350 48.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28799 ATOM 28795 HW2 SOL 9074 52.660 58.450 48.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28800 ATOM 28796 OW SOL 9075 48.760 54.570 49.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28801 ATOM 28797 HW1 SOL 9075 47.880 55.060 49.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28802 ATOM 28798 HW2 SOL 9075 49.230 54.800 50.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28803 ATOM 28799 OW SOL 9076 46.480 69.610 39.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28804 ATOM 28800 HW1 SOL 9076 45.650 69.320 39.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28805 ATOM 28801 HW2 SOL 9076 47.110 70.030 40.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28806 ATOM 28802 OW SOL 9077 44.550 71.310 51.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28807 ATOM 28803 HW1 SOL 9077 43.750 71.210 52.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28808 ATOM 28804 HW2 SOL 9077 45.110 72.070 51.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28809 ATOM 28805 OW SOL 9078 51.630 55.020 40.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28810 ATOM 28806 HW1 SOL 9078 52.210 54.400 40.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28811 ATOM 28807 HW2 SOL 9078 50.840 54.520 39.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28812 ATOM 28808 OW SOL 9079 49.420 60.970 42.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28813 ATOM 28809 HW1 SOL 9079 49.120 61.880 43.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28814 ATOM 28810 HW2 SOL 9079 49.790 60.480 43.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28815 ATOM 28811 OW SOL 9080 51.840 56.080 44.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28816 ATOM 28812 HW1 SOL 9080 52.250 55.500 45.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28817 ATOM 28813 HW2 SOL 9080 51.120 56.640 44.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28818 ATOM 28814 OW SOL 9081 37.920 62.530 43.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28819 ATOM 28815 HW1 SOL 9081 38.890 62.680 43.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28820 ATOM 28816 HW2 SOL 9081 37.560 61.790 42.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28821 ATOM 28817 OW SOL 9082 38.750 63.130 56.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28822 ATOM 28818 HW1 SOL 9082 37.980 62.560 57.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28823 ATOM 28819 HW2 SOL 9082 38.900 63.070 55.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28824 ATOM 28820 OW SOL 9083 37.470 56.090 65.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28825 ATOM 28821 HW1 SOL 9083 37.480 55.330 65.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28826 ATOM 28822 HW2 SOL 9083 36.880 55.850 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28827 ATOM 28823 OW SOL 9084 33.760 58.560 61.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28828 ATOM 28824 HW1 SOL 9084 34.160 59.470 61.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28829 ATOM 28825 HW2 SOL 9084 32.780 58.600 61.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28830 ATOM 28826 OW SOL 9085 40.410 67.420 69.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28831 ATOM 28827 HW1 SOL 9085 39.760 67.820 68.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28832 ATOM 28828 HW2 SOL 9085 41.270 67.930 69.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28833 ATOM 28829 OW SOL 9086 54.070 69.300 63.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28834 ATOM 28830 HW1 SOL 9086 54.540 68.800 64.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28835 ATOM 28831 HW2 SOL 9086 53.100 69.370 63.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28836 ATOM 28832 OW SOL 9087 47.970 63.550 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28837 ATOM 28833 HW1 SOL 9087 48.830 63.830 60.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28838 ATOM 28834 HW2 SOL 9087 48.110 63.440 61.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28839 ATOM 28835 OW SOL 9088 55.730 60.900 58.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28840 ATOM 28836 HW1 SOL 9088 55.340 61.340 57.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28841 ATOM 28837 HW2 SOL 9088 56.570 60.420 58.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28842 ATOM 28838 OW SOL 9089 44.040 66.310 66.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28843 ATOM 28839 HW1 SOL 9089 44.580 66.730 67.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28844 ATOM 28840 HW2 SOL 9089 43.680 67.030 66.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28845 ATOM 28841 OW SOL 9090 46.630 64.110 71.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28846 ATOM 28842 HW1 SOL 9090 46.750 63.770 72.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28847 ATOM 28843 HW2 SOL 9090 45.730 63.830 70.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28848 ATOM 28844 OW SOL 9091 44.310 63.250 62.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28849 ATOM 28845 HW1 SOL 9091 44.840 63.840 63.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28850 ATOM 28846 HW2 SOL 9091 43.370 63.590 62.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28851 ATOM 28847 OW SOL 9092 39.690 67.310 65.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28852 ATOM 28848 HW1 SOL 9092 39.020 67.640 65.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28853 ATOM 28849 HW2 SOL 9092 39.950 66.370 65.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28854 ATOM 28850 OW SOL 9093 50.540 68.420 68.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28855 ATOM 28851 HW1 SOL 9093 51.150 68.890 68.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28856 ATOM 28852 HW2 SOL 9093 49.910 69.080 67.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28857 ATOM 28853 OW SOL 9094 39.540 57.800 67.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28858 ATOM 28854 HW1 SOL 9094 40.220 57.360 67.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28859 ATOM 28855 HW2 SOL 9094 38.640 57.400 67.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28860 ATOM 28856 OW SOL 9095 53.240 59.160 63.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28861 ATOM 28857 HW1 SOL 9095 52.850 59.820 63.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28862 ATOM 28858 HW2 SOL 9095 52.510 58.740 64.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28863 ATOM 28859 OW SOL 9096 38.400 71.370 60.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28864 ATOM 28860 HW1 SOL 9096 38.740 72.160 61.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28865 ATOM 28861 HW2 SOL 9096 38.260 70.600 61.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28866 ATOM 28862 OW SOL 9097 40.150 64.750 64.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28867 ATOM 28863 HW1 SOL 9097 39.890 64.300 65.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28868 ATOM 28864 HW2 SOL 9097 39.330 64.900 64.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28869 ATOM 28865 OW SOL 9098 43.800 66.690 58.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28870 ATOM 28866 HW1 SOL 9098 44.720 66.990 59.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28871 ATOM 28867 HW2 SOL 9098 43.630 65.770 59.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28872 ATOM 28868 OW SOL 9099 54.060 56.860 72.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28873 ATOM 28869 HW1 SOL 9099 53.960 57.400 71.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28874 ATOM 28870 HW2 SOL 9099 54.570 57.370 72.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28875 ATOM 28871 OW SOL 9100 38.550 61.570 60.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28876 ATOM 28872 HW1 SOL 9100 38.440 60.590 60.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28877 ATOM 28873 HW2 SOL 9100 37.880 61.880 61.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28878 ATOM 28874 OW SOL 9101 36.540 72.170 58.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28879 ATOM 28875 HW1 SOL 9101 37.210 71.910 59.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28880 ATOM 28876 HW2 SOL 9101 36.810 73.040 58.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28881 ATOM 28877 OW SOL 9102 55.070 64.950 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28882 ATOM 28878 HW1 SOL 9102 55.520 64.170 60.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28883 ATOM 28879 HW2 SOL 9102 55.040 65.720 60.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28884 ATOM 28880 OW SOL 9103 54.760 66.920 59.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28885 ATOM 28881 HW1 SOL 9103 54.910 66.790 58.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28886 ATOM 28882 HW2 SOL 9103 54.970 67.870 59.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28887 ATOM 28883 OW SOL 9104 39.280 61.950 1.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28888 ATOM 28884 HW1 SOL 9104 40.040 61.430 1.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28889 ATOM 28885 HW2 SOL 9104 38.550 62.030 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28890 ATOM 28886 OW SOL 9105 43.240 66.810 63.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28891 ATOM 28887 HW1 SOL 9105 42.830 65.900 63.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28892 ATOM 28888 HW2 SOL 9105 42.530 67.480 62.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28893 ATOM 28889 OW SOL 9106 47.820 66.260 69.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28894 ATOM 28890 HW1 SOL 9106 48.580 65.930 69.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28895 ATOM 28891 HW2 SOL 9106 47.580 65.570 70.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28896 ATOM 28892 OW SOL 9107 44.280 56.160 60.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28897 ATOM 28893 HW1 SOL 9107 45.060 56.760 60.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28898 ATOM 28894 HW2 SOL 9107 43.760 56.520 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28899 ATOM 28895 OW SOL 9108 39.380 62.840 66.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28900 ATOM 28896 HW1 SOL 9108 39.910 62.000 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28901 ATOM 28897 HW2 SOL 9108 38.550 62.660 66.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28902 ATOM 28898 OW SOL 9109 54.930 66.420 56.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28903 ATOM 28899 HW1 SOL 9109 53.930 66.450 56.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28904 ATOM 28900 HW2 SOL 9109 55.240 65.500 57.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28905 ATOM 28901 OW SOL 9110 39.090 54.060 70.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28906 ATOM 28902 HW1 SOL 9110 39.450 54.970 71.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28907 ATOM 28903 HW2 SOL 9110 38.130 54.140 70.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28908 ATOM 28904 OW SOL 9111 51.230 68.360 63.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28909 ATOM 28905 HW1 SOL 9111 51.080 69.120 62.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28910 ATOM 28906 HW2 SOL 9111 50.820 67.530 63.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28911 ATOM 28907 OW SOL 9112 42.370 61.630 59.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28912 ATOM 28908 HW1 SOL 9112 42.650 62.590 59.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28913 ATOM 28909 HW2 SOL 9112 42.200 61.260 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28914 ATOM 28910 OW SOL 9113 51.240 58.270 65.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28915 ATOM 28911 HW1 SOL 9113 50.370 57.820 65.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28916 ATOM 28912 HW2 SOL 9113 51.240 58.610 66.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28917 ATOM 28913 OW SOL 9114 55.190 71.570 59.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28918 ATOM 28914 HW1 SOL 9114 55.140 70.810 60.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28919 ATOM 28915 HW2 SOL 9114 54.820 72.400 59.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28920 ATOM 28916 OW SOL 9115 44.270 58.820 70.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28921 ATOM 28917 HW1 SOL 9115 45.000 59.340 70.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28922 ATOM 28918 HW2 SOL 9115 44.630 58.400 69.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28923 ATOM 28919 OW SOL 9116 44.220 63.320 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28924 ATOM 28920 HW1 SOL 9116 43.980 63.450 68.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28925 ATOM 28921 HW2 SOL 9116 44.060 64.170 70.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28926 ATOM 28922 OW SOL 9117 47.830 58.630 66.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28927 ATOM 28923 HW1 SOL 9117 48.600 59.190 66.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28928 ATOM 28924 HW2 SOL 9117 48.130 58.020 65.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28929 ATOM 28925 OW SOL 9118 47.260 60.610 60.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28930 ATOM 28926 HW1 SOL 9118 47.180 61.570 60.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28931 ATOM 28927 HW2 SOL 9118 46.340 60.230 60.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28932 ATOM 28928 OW SOL 9119 36.390 62.290 62.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28933 ATOM 28929 HW1 SOL 9119 35.730 61.830 62.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28934 ATOM 28930 HW2 SOL 9119 36.030 63.180 63.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28935 ATOM 28931 OW SOL 9120 36.700 1.180 70.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28936 ATOM 28932 HW1 SOL 9120 36.510 0.330 70.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28937 ATOM 28933 HW2 SOL 9120 36.230 1.180 69.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28938 ATOM 28934 OW SOL 9121 46.080 58.060 57.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28939 ATOM 28935 HW1 SOL 9121 46.530 58.870 56.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28940 ATOM 28936 HW2 SOL 9121 46.110 57.320 56.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28941 ATOM 28937 OW SOL 9122 52.140 66.420 60.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28942 ATOM 28938 HW1 SOL 9122 53.070 66.210 60.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28943 ATOM 28939 HW2 SOL 9122 51.920 67.370 60.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28944 ATOM 28940 OW SOL 9123 44.710 55.740 63.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28945 ATOM 28941 HW1 SOL 9123 43.970 56.300 63.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28946 ATOM 28942 HW2 SOL 9123 45.000 55.070 63.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28947 ATOM 28943 OW SOL 9124 46.140 67.790 59.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28948 ATOM 28944 HW1 SOL 9124 46.020 67.050 60.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28949 ATOM 28945 HW2 SOL 9124 46.290 68.650 60.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28950 ATOM 28946 OW SOL 9125 40.890 71.670 63.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28951 ATOM 28947 HW1 SOL 9125 40.920 71.080 64.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28952 ATOM 28948 HW2 SOL 9125 40.210 72.390 63.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28953 ATOM 28949 OW SOL 9126 55.310 65.150 63.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28954 ATOM 28950 HW1 SOL 9126 55.390 65.080 62.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28955 ATOM 28951 HW2 SOL 9126 54.580 64.550 64.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28956 ATOM 28952 OW SOL 9127 47.880 70.160 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28957 ATOM 28953 HW1 SOL 9127 47.980 69.210 69.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28958 ATOM 28954 HW2 SOL 9127 48.410 70.320 68.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28959 ATOM 28955 OW SOL 9128 40.370 65.230 58.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28960 ATOM 28956 HW1 SOL 9128 41.120 65.320 57.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28961 ATOM 28957 HW2 SOL 9128 39.680 64.610 57.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28962 ATOM 28958 OW SOL 9129 52.850 63.260 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28963 ATOM 28959 HW1 SOL 9129 53.590 63.770 60.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28964 ATOM 28960 HW2 SOL 9129 52.990 63.270 59.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28965 ATOM 28961 OW SOL 9130 40.020 67.150 72.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28966 ATOM 28962 HW1 SOL 9130 40.130 67.360 71.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28967 ATOM 28963 HW2 SOL 9130 40.210 66.180 72.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28968 ATOM 28964 OW SOL 9131 37.120 56.190 68.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28969 ATOM 28965 HW1 SOL 9131 36.850 57.100 68.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28970 ATOM 28966 HW2 SOL 9131 37.040 55.550 68.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28971 ATOM 28967 OW SOL 9132 53.260 69.670 54.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28972 ATOM 28968 HW1 SOL 9132 53.390 70.120 54.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28973 ATOM 28969 HW2 SOL 9132 52.420 69.990 55.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28974 ATOM 28970 OW SOL 9133 51.900 57.840 61.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28975 ATOM 28971 HW1 SOL 9133 52.400 58.220 60.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28976 ATOM 28972 HW2 SOL 9133 52.450 57.960 62.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28977 ATOM 28973 OW SOL 9134 40.740 61.180 62.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28978 ATOM 28974 HW1 SOL 9134 40.450 60.230 62.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28979 ATOM 28975 HW2 SOL 9134 40.040 61.660 61.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28980 ATOM 28976 OW SOL 9135 42.650 56.440 58.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28981 ATOM 28977 HW1 SOL 9135 43.070 56.530 58.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28982 ATOM 28978 HW2 SOL 9135 43.290 55.990 57.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28983 ATOM 28979 OW SOL 9136 43.270 55.620 70.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28984 ATOM 28980 HW1 SOL 9136 44.120 55.170 70.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28985 ATOM 28981 HW2 SOL 9136 43.000 56.300 71.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28986 ATOM 28982 OW SOL 9137 45.250 69.820 67.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28987 ATOM 28983 HW1 SOL 9137 45.490 68.970 68.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28988 ATOM 28984 HW2 SOL 9137 45.870 69.970 66.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28989 ATOM 28985 OW SOL 9138 50.670 60.740 70.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28990 ATOM 28986 HW1 SOL 9138 50.870 60.410 70.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28991 ATOM 28987 HW2 SOL 9138 51.040 61.660 69.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28992 ATOM 28988 OW SOL 9139 43.550 68.560 65.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28993 ATOM 28989 HW1 SOL 9139 44.290 69.210 64.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28994 ATOM 28990 HW2 SOL 9139 43.330 68.140 64.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28995 ATOM 28991 OW SOL 9140 46.020 58.380 63.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28996 ATOM 28992 HW1 SOL 9140 45.360 58.730 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28997 ATOM 28993 HW2 SOL 9140 45.830 57.420 63.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28998 ATOM 28994 OW SOL 9141 42.830 57.450 62.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
28999 ATOM 28995 HW1 SOL 9141 41.900 57.450 62.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29000 ATOM 28996 HW2 SOL 9141 43.200 58.390 62.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29001 ATOM 28997 OW SOL 9142 52.290 66.780 56.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29002 ATOM 28998 HW1 SOL 9142 51.830 65.950 56.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29003 ATOM 28999 HW2 SOL 9142 51.660 67.300 57.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29004 ATOM 29000 OW SOL 9143 40.670 54.610 58.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29005 ATOM 29001 HW1 SOL 9143 41.250 55.250 58.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29006 ATOM 29002 HW2 SOL 9143 41.150 54.310 59.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29007 ATOM 29003 OW SOL 9144 46.670 57.400 60.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29008 ATOM 29004 HW1 SOL 9144 46.390 57.740 59.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29009 ATOM 29005 HW2 SOL 9144 47.590 57.730 60.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29010 ATOM 29006 OW SOL 9145 47.790 62.870 68.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29011 ATOM 29007 HW1 SOL 9145 47.430 63.460 69.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29012 ATOM 29008 HW2 SOL 9145 48.680 63.220 68.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29013 ATOM 29009 OW SOL 9146 48.230 72.490 64.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29014 ATOM 29010 HW1 SOL 9146 47.800 72.710 63.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29015 ATOM 29011 HW2 SOL 9146 49.210 72.350 63.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29016 ATOM 29012 OW SOL 9147 41.830 64.370 62.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29017 ATOM 29013 HW1 SOL 9147 41.290 64.080 63.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29018 ATOM 29014 HW2 SOL 9147 41.280 64.310 61.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29019 ATOM 29015 OW SOL 9148 47.290 60.200 56.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29020 ATOM 29016 HW1 SOL 9148 46.510 60.790 56.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29021 ATOM 29017 HW2 SOL 9148 47.940 60.270 56.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29022 ATOM 29018 OW SOL 9149 37.750 63.130 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29023 ATOM 29019 HW1 SOL 9149 38.190 63.940 69.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29024 ATOM 29020 HW2 SOL 9149 38.040 63.030 70.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29025 ATOM 29021 OW SOL 9150 41.380 56.560 65.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29026 ATOM 29022 HW1 SOL 9150 42.110 56.000 66.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29027 ATOM 29023 HW2 SOL 9150 41.210 56.270 64.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29028 ATOM 29024 OW SOL 9151 44.130 59.700 62.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29029 ATOM 29025 HW1 SOL 9151 44.190 60.580 62.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29030 ATOM 29026 HW2 SOL 9151 44.380 59.810 61.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29031 ATOM 29027 OW SOL 9152 48.240 55.480 62.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29032 ATOM 29028 HW1 SOL 9152 47.820 56.100 61.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29033 ATOM 29029 HW2 SOL 9152 47.600 54.760 62.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29034 ATOM 29030 OW SOL 9153 50.240 66.050 62.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29035 ATOM 29031 HW1 SOL 9153 49.480 65.440 62.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29036 ATOM 29032 HW2 SOL 9153 50.930 65.990 61.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29037 ATOM 29033 OW SOL 9154 53.470 63.290 64.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29038 ATOM 29034 HW1 SOL 9154 52.760 62.870 63.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29039 ATOM 29035 HW2 SOL 9154 53.170 63.330 65.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29040 ATOM 29036 OW SOL 9155 56.470 62.590 60.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29041 ATOM 29037 HW1 SOL 9155 56.670 62.030 60.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29042 ATOM 29038 HW2 SOL 9155 56.130 62.020 59.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29043 ATOM 29039 OW SOL 9156 41.460 70.980 59.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29044 ATOM 29040 HW1 SOL 9156 41.750 70.250 58.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29045 ATOM 29041 HW2 SOL 9156 40.530 70.810 59.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29046 ATOM 29042 OW SOL 9157 55.250 69.230 61.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29047 ATOM 29043 HW1 SOL 9157 56.130 68.790 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29048 ATOM 29044 HW2 SOL 9157 54.600 68.990 61.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29049 ATOM 29045 OW SOL 9158 49.920 62.420 57.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29050 ATOM 29046 HW1 SOL 9158 50.030 61.510 58.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29051 ATOM 29047 HW2 SOL 9158 50.040 63.110 58.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29052 ATOM 29048 OW SOL 9159 40.730 58.440 59.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29053 ATOM 29049 HW1 SOL 9159 41.580 58.020 58.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29054 ATOM 29050 HW2 SOL 9159 40.650 59.360 58.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29055 ATOM 29051 OW SOL 9160 54.420 66.700 70.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29056 ATOM 29052 HW1 SOL 9160 54.870 67.510 71.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29057 ATOM 29053 HW2 SOL 9160 54.060 66.940 69.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29058 ATOM 29054 OW SOL 9161 45.440 67.190 68.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29059 ATOM 29055 HW1 SOL 9161 44.740 66.880 69.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29060 ATOM 29056 HW2 SOL 9161 46.330 66.850 69.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29061 ATOM 29057 OW SOL 9162 54.280 68.120 68.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29062 ATOM 29058 HW1 SOL 9162 53.590 68.820 68.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29063 ATOM 29059 HW2 SOL 9162 55.190 68.530 68.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29064 ATOM 29060 OW SOL 9163 46.550 70.870 65.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29065 ATOM 29061 HW1 SOL 9163 45.780 71.510 65.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29066 ATOM 29062 HW2 SOL 9163 47.380 71.300 65.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29067 ATOM 29063 OW SOL 9164 51.770 66.000 65.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29068 ATOM 29064 HW1 SOL 9164 52.720 66.210 65.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29069 ATOM 29065 HW2 SOL 9164 51.380 66.730 64.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29070 ATOM 29066 OW SOL 9165 47.880 55.940 67.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29071 ATOM 29067 HW1 SOL 9165 47.830 55.220 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29072 ATOM 29068 HW2 SOL 9165 47.950 56.830 67.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29073 ATOM 29069 OW SOL 9166 43.880 63.880 60.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29074 ATOM 29070 HW1 SOL 9166 44.210 63.590 60.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29075 ATOM 29071 HW2 SOL 9166 44.670 64.150 59.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29076 ATOM 29072 OW SOL 9167 41.050 60.450 67.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29077 ATOM 29073 HW1 SOL 9167 41.650 60.590 68.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29078 ATOM 29074 HW2 SOL 9167 40.570 59.580 67.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29079 ATOM 29075 OW SOL 9168 48.090 60.050 69.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29080 ATOM 29076 HW1 SOL 9168 49.030 60.160 69.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29081 ATOM 29077 HW2 SOL 9168 47.770 60.900 68.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29082 ATOM 29078 OW SOL 9169 38.410 68.980 67.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29083 ATOM 29079 HW1 SOL 9169 37.960 69.740 67.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29084 ATOM 29080 HW2 SOL 9169 38.740 68.320 67.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29085 ATOM 29081 OW SOL 9170 40.190 64.120 60.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29086 ATOM 29082 HW1 SOL 9170 40.370 64.410 59.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29087 ATOM 29083 HW2 SOL 9170 39.240 63.790 60.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29088 ATOM 29084 OW SOL 9171 40.440 59.390 64.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29089 ATOM 29085 HW1 SOL 9171 40.950 58.980 64.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29090 ATOM 29086 HW2 SOL 9171 41.060 59.530 65.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29091 ATOM 29087 OW SOL 9172 50.320 69.890 61.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29092 ATOM 29088 HW1 SOL 9172 50.750 70.760 60.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29093 ATOM 29089 HW2 SOL 9172 49.330 70.010 61.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29094 ATOM 29090 OW SOL 9173 48.890 70.650 67.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29095 ATOM 29091 HW1 SOL 9173 49.550 70.420 66.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29096 ATOM 29092 HW2 SOL 9173 47.970 70.570 66.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29097 ATOM 29093 OW SOL 9174 52.300 61.040 61.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29098 ATOM 29094 HW1 SOL 9174 51.480 61.030 62.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29099 ATOM 29095 HW2 SOL 9174 52.510 61.980 61.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29100 ATOM 29096 OW SOL 9175 40.720 71.550 67.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29101 ATOM 29097 HW1 SOL 9175 40.750 70.900 66.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29102 ATOM 29098 HW2 SOL 9175 40.460 71.070 68.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29103 ATOM 29099 OW SOL 9176 40.540 60.560 72.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29104 ATOM 29100 HW1 SOL 9176 41.260 61.040 71.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29105 ATOM 29101 HW2 SOL 9176 40.050 59.960 71.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29106 ATOM 29102 OW SOL 9177 53.940 66.210 0.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29107 ATOM 29103 HW1 SOL 9177 54.110 66.570 -0.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29108 ATOM 29104 HW2 SOL 9177 53.210 65.540 0.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29109 ATOM 29105 OW SOL 9178 43.340 63.340 66.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29110 ATOM 29106 HW1 SOL 9178 43.180 64.310 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29111 ATOM 29107 HW2 SOL 9178 42.600 62.820 66.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29112 ATOM 29108 OW SOL 9179 48.450 63.210 63.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29113 ATOM 29109 HW1 SOL 9179 48.040 62.330 63.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29114 ATOM 29110 HW2 SOL 9179 49.000 63.560 64.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29115 ATOM 29111 OW SOL 9180 48.740 59.510 58.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29116 ATOM 29112 HW1 SOL 9180 48.910 58.580 58.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29117 ATOM 29113 HW2 SOL 9180 48.100 59.970 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29118 ATOM 29114 OW SOL 9181 38.060 53.970 66.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29119 ATOM 29115 HW1 SOL 9181 37.930 54.850 67.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29120 ATOM 29116 HW2 SOL 9181 38.620 53.380 67.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29121 ATOM 29117 OW SOL 9182 37.500 68.010 64.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29122 ATOM 29118 HW1 SOL 9182 36.760 67.900 65.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29123 ATOM 29119 HW2 SOL 9182 37.470 68.930 64.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29124 ATOM 29120 OW SOL 9183 43.150 59.750 66.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29125 ATOM 29121 HW1 SOL 9183 43.040 60.040 65.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29126 ATOM 29122 HW2 SOL 9183 42.360 60.040 66.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29127 ATOM 29123 OW SOL 9184 39.880 55.460 63.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29128 ATOM 29124 HW1 SOL 9184 39.200 56.170 63.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29129 ATOM 29125 HW2 SOL 9184 39.770 54.710 64.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29130 ATOM 29126 OW SOL 9185 52.780 59.770 59.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29131 ATOM 29127 HW1 SOL 9185 53.610 60.250 59.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29132 ATOM 29128 HW2 SOL 9185 52.400 60.230 60.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29133 ATOM 29129 OW SOL 9186 47.300 60.850 64.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29134 ATOM 29130 HW1 SOL 9186 46.600 61.270 65.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29135 ATOM 29131 HW2 SOL 9186 47.120 59.870 64.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29136 ATOM 29132 OW SOL 9187 56.030 70.550 69.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29137 ATOM 29133 HW1 SOL 9187 56.230 70.930 68.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29138 ATOM 29134 HW2 SOL 9187 56.790 69.960 69.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29139 ATOM 29135 OW SOL 9188 52.230 57.780 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29140 ATOM 29136 HW1 SOL 9188 51.250 57.680 58.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29141 ATOM 29137 HW2 SOL 9188 52.410 58.630 58.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29142 ATOM 29138 OW SOL 9189 50.900 64.470 56.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29143 ATOM 29139 HW1 SOL 9189 50.640 63.600 56.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29144 ATOM 29140 HW2 SOL 9189 51.400 64.300 55.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29145 ATOM 29141 OW SOL 9190 47.740 68.730 63.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29146 ATOM 29142 HW1 SOL 9190 47.560 67.790 63.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29147 ATOM 29143 HW2 SOL 9190 47.650 69.340 64.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29148 ATOM 29144 OW SOL 9191 37.330 61.780 65.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29149 ATOM 29145 HW1 SOL 9191 37.100 61.990 64.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29150 ATOM 29146 HW2 SOL 9191 37.410 60.790 65.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29151 ATOM 29147 OW SOL 9192 37.870 58.960 64.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29152 ATOM 29148 HW1 SOL 9192 37.700 58.030 64.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29153 ATOM 29149 HW2 SOL 9192 38.830 59.190 64.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29154 ATOM 29150 OW SOL 9193 47.610 57.180 70.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29155 ATOM 29151 HW1 SOL 9193 47.730 56.520 69.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29156 ATOM 29152 HW2 SOL 9193 47.630 58.110 69.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29157 ATOM 29153 OW SOL 9194 37.270 68.030 57.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29158 ATOM 29154 HW1 SOL 9194 36.280 68.030 57.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29159 ATOM 29155 HW2 SOL 9194 37.660 67.820 56.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29160 ATOM 29156 OW SOL 9195 41.020 69.470 65.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29161 ATOM 29157 HW1 SOL 9195 40.500 68.710 65.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29162 ATOM 29158 HW2 SOL 9195 41.960 69.170 64.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29163 ATOM 29159 OW SOL 9196 45.890 62.290 66.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29164 ATOM 29160 HW1 SOL 9196 46.480 61.970 67.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29165 ATOM 29161 HW2 SOL 9196 44.980 62.480 66.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29166 ATOM 29162 OW SOL 9197 37.680 60.780 68.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29167 ATOM 29163 HW1 SOL 9197 37.890 60.960 67.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29168 ATOM 29164 HW2 SOL 9197 37.610 61.640 69.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29169 ATOM 29165 OW SOL 9198 44.790 59.930 59.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29170 ATOM 29166 HW1 SOL 9198 45.030 59.540 58.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29171 ATOM 29167 HW2 SOL 9198 44.120 60.660 59.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29172 ATOM 29168 OW SOL 9199 52.210 61.740 66.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29173 ATOM 29169 HW1 SOL 9199 51.830 60.820 66.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29174 ATOM 29170 HW2 SOL 9199 53.180 61.730 66.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29175 ATOM 29171 OW SOL 9200 36.320 71.930 71.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29176 ATOM 29172 HW1 SOL 9200 36.600 71.690 72.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29177 ATOM 29173 HW2 SOL 9200 36.770 71.320 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29178 ATOM 29174 OW SOL 9201 45.350 58.130 67.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29179 ATOM 29175 HW1 SOL 9201 44.640 58.680 67.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29180 ATOM 29176 HW2 SOL 9201 46.220 58.270 67.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29181 ATOM 29177 OW SOL 9202 40.670 60.830 57.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29182 ATOM 29178 HW1 SOL 9202 41.210 61.310 58.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29183 ATOM 29179 HW2 SOL 9202 39.780 61.280 57.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29184 ATOM 29180 OW SOL 9203 39.110 65.130 68.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29185 ATOM 29181 HW1 SOL 9203 39.930 65.480 69.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29186 ATOM 29182 HW2 SOL 9203 39.330 64.290 68.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29187 ATOM 29183 OW SOL 9204 50.130 65.610 68.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29188 ATOM 29184 HW1 SOL 9204 50.350 66.550 68.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29189 ATOM 29185 HW2 SOL 9204 50.220 65.030 67.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29190 ATOM 29186 OW SOL 9205 53.000 63.310 57.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29191 ATOM 29187 HW1 SOL 9205 53.620 62.750 57.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29192 ATOM 29188 HW2 SOL 9205 52.640 64.060 57.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29193 ATOM 29189 OW SOL 9206 53.110 71.980 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29194 ATOM 29190 HW1 SOL 9206 53.890 71.730 64.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29195 ATOM 29191 HW2 SOL 9206 53.440 72.290 65.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29196 ATOM 29192 OW SOL 9207 47.830 1.680 66.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29197 ATOM 29193 HW1 SOL 9207 48.270 1.040 65.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29198 ATOM 29194 HW2 SOL 9207 48.530 2.160 66.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29199 ATOM 29195 OW SOL 9208 37.650 65.480 63.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29200 ATOM 29196 HW1 SOL 9208 37.620 66.400 64.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29201 ATOM 29197 HW2 SOL 9208 36.730 65.070 63.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29202 ATOM 29198 OW SOL 9209 56.340 57.110 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29203 ATOM 29199 HW1 SOL 9209 56.890 56.960 59.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29204 ATOM 29200 HW2 SOL 9209 55.680 56.370 60.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29205 ATOM 29201 OW SOL 9210 51.110 72.490 60.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29206 ATOM 29202 HW1 SOL 9210 51.970 72.920 60.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29207 ATOM 29203 HW2 SOL 9210 50.950 72.600 61.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29208 ATOM 29204 OW SOL 9211 50.350 64.480 59.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29209 ATOM 29205 HW1 SOL 9211 51.220 64.430 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29210 ATOM 29206 HW2 SOL 9211 50.280 65.370 59.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29211 ATOM 29207 OW SOL 9212 43.470 65.980 70.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29212 ATOM 29208 HW1 SOL 9212 43.220 66.210 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29213 ATOM 29209 HW2 SOL 9212 42.800 66.350 69.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29214 ATOM 29210 OW SOL 9213 43.830 72.120 58.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29215 ATOM 29211 HW1 SOL 9213 44.170 72.590 59.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29216 ATOM 29212 HW2 SOL 9213 43.060 71.540 58.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29217 ATOM 29213 OW SOL 9214 54.650 55.890 63.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29218 ATOM 29214 HW1 SOL 9214 55.180 55.630 64.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29219 ATOM 29215 HW2 SOL 9214 54.710 55.170 62.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29220 ATOM 29216 OW SOL 9215 37.330 58.960 61.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29221 ATOM 29217 HW1 SOL 9215 36.680 58.270 61.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29222 ATOM 29218 HW2 SOL 9215 37.300 59.010 62.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29223 ATOM 29219 OW SOL 9216 50.580 69.900 56.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29224 ATOM 29220 HW1 SOL 9216 50.870 69.400 57.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29225 ATOM 29221 HW2 SOL 9216 49.810 69.420 55.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29226 ATOM 29222 OW SOL 9217 43.220 64.590 0.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29227 ATOM 29223 HW1 SOL 9217 43.790 64.870 1.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29228 ATOM 29224 HW2 SOL 9217 43.590 63.750 0.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29229 ATOM 29225 OW SOL 9218 46.120 63.640 58.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29230 ATOM 29226 HW1 SOL 9218 46.710 63.650 59.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29231 ATOM 29227 HW2 SOL 9218 46.480 64.270 57.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29232 ATOM 29228 OW SOL 9219 37.380 69.780 70.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29233 ATOM 29229 HW1 SOL 9219 37.130 69.100 71.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29234 ATOM 29230 HW2 SOL 9219 37.790 69.310 70.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29235 ATOM 29231 OW SOL 9220 54.100 66.880 66.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29236 ATOM 29232 HW1 SOL 9220 54.070 67.250 67.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29237 ATOM 29233 HW2 SOL 9220 54.920 66.330 65.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29238 ATOM 29234 OW SOL 9221 47.710 66.030 63.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29239 ATOM 29235 HW1 SOL 9221 47.240 65.170 64.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29240 ATOM 29236 HW2 SOL 9221 48.700 65.870 63.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29241 ATOM 29237 OW SOL 9222 48.830 57.000 64.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29242 ATOM 29238 HW1 SOL 9222 48.430 57.130 63.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29243 ATOM 29239 HW2 SOL 9222 48.660 56.060 64.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29244 ATOM 29240 OW SOL 9223 41.550 68.600 61.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29245 ATOM 29241 HW1 SOL 9223 41.520 68.310 60.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29246 ATOM 29242 HW2 SOL 9223 41.180 69.530 61.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29247 ATOM 29243 OW SOL 9224 54.580 58.150 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29248 ATOM 29244 HW1 SOL 9224 55.290 58.650 69.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29249 ATOM 29245 HW2 SOL 9224 54.210 57.430 69.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29250 ATOM 29246 OW SOL 9225 38.780 70.740 56.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29251 ATOM 29247 HW1 SOL 9225 38.400 69.850 56.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29252 ATOM 29248 HW2 SOL 9225 38.270 71.460 57.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29253 ATOM 29249 OW SOL 9226 36.250 67.760 72.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29254 ATOM 29250 HW1 SOL 9226 36.110 66.810 71.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29255 ATOM 29251 HW2 SOL 9226 35.450 68.090 72.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29256 ATOM 29252 OW SOL 9227 43.800 56.120 67.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29257 ATOM 29253 HW1 SOL 9227 44.400 56.900 67.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29258 ATOM 29254 HW2 SOL 9227 43.490 56.100 68.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29259 ATOM 29255 OW SOL 9228 37.090 58.720 55.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29260 ATOM 29256 HW1 SOL 9228 36.500 58.200 55.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29261 ATOM 29257 HW2 SOL 9228 36.750 58.620 56.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29262 ATOM 29258 OW SOL 9229 51.570 63.430 69.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29263 ATOM 29259 HW1 SOL 9229 51.070 64.090 69.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29264 ATOM 29260 HW2 SOL 9229 52.520 63.380 69.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29265 ATOM 29261 OW SOL 9230 38.760 56.430 58.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29266 ATOM 29262 HW1 SOL 9230 39.380 57.210 58.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29267 ATOM 29263 HW2 SOL 9230 39.300 55.590 58.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29268 ATOM 29264 OW SOL 9231 50.560 67.980 58.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29269 ATOM 29265 HW1 SOL 9231 49.690 67.790 58.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29270 ATOM 29266 HW2 SOL 9231 50.380 68.460 59.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29271 ATOM 29267 OW SOL 9232 42.720 61.130 70.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29272 ATOM 29268 HW1 SOL 9232 43.370 61.820 69.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29273 ATOM 29269 HW2 SOL 9232 43.170 60.240 70.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29274 ATOM 29270 OW SOL 9233 50.830 0.210 63.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29275 ATOM 29271 HW1 SOL 9233 50.480 1.080 63.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29276 ATOM 29272 HW2 SOL 9233 51.630 -0.060 63.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29277 ATOM 29273 OW SOL 9234 42.700 57.950 72.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29278 ATOM 29274 HW1 SOL 9234 42.490 58.740 72.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29279 ATOM 29275 HW2 SOL 9234 43.180 58.250 71.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29280 ATOM 29276 OW SOL 9235 39.640 71.420 69.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29281 ATOM 29277 HW1 SOL 9235 39.280 72.130 69.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29282 ATOM 29278 HW2 SOL 9235 38.890 70.840 70.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29283 ATOM 29279 OW SOL 9236 50.140 63.600 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29284 ATOM 29280 HW1 SOL 9236 50.710 62.780 65.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29285 ATOM 29281 HW2 SOL 9236 50.700 64.390 65.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29286 ATOM 29282 OW SOL 9237 49.180 58.310 61.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29287 ATOM 29283 HW1 SOL 9237 50.120 58.090 61.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29288 ATOM 29284 HW2 SOL 9237 48.950 59.220 61.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29289 ATOM 29285 OW SOL 9238 42.580 61.600 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29290 ATOM 29286 HW1 SOL 9238 43.180 62.270 63.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29291 ATOM 29287 HW2 SOL 9238 41.760 61.470 63.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29292 ATOM 29288 OW SOL 9239 54.350 63.790 69.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29293 ATOM 29289 HW1 SOL 9239 54.450 64.770 69.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29294 ATOM 29290 HW2 SOL 9239 54.590 63.280 68.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29295 ATOM 29291 OW SOL 9240 44.990 71.230 55.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29296 ATOM 29292 HW1 SOL 9240 44.820 71.560 56.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29297 ATOM 29293 HW2 SOL 9240 44.300 70.550 55.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29298 ATOM 29294 OW SOL 9241 45.310 64.480 64.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29299 ATOM 29295 HW1 SOL 9241 45.450 63.710 65.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29300 ATOM 29296 HW2 SOL 9241 45.050 65.290 65.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29301 ATOM 29297 OW SOL 9242 48.190 66.850 58.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29302 ATOM 29298 HW1 SOL 9242 47.420 66.980 58.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29303 ATOM 29299 HW2 SOL 9242 47.920 66.200 57.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29304 ATOM 29300 OW SOL 9243 55.430 71.670 63.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29305 ATOM 29301 HW1 SOL 9243 55.130 70.870 62.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29306 ATOM 29302 HW2 SOL 9243 56.120 71.390 63.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29307 ATOM 29303 OW SOL 9244 38.100 67.660 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29308 ATOM 29304 HW1 SOL 9244 38.330 66.800 61.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29309 ATOM 29305 HW2 SOL 9244 38.800 67.880 60.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29310 ATOM 29306 OW SOL 9245 42.860 67.340 0.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29311 ATOM 29307 HW1 SOL 9245 42.020 67.010 0.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29312 ATOM 29308 HW2 SOL 9245 42.960 68.320 0.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29313 ATOM 29309 OW SOL 9246 53.270 56.120 68.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29314 ATOM 29310 HW1 SOL 9246 52.770 55.310 68.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29315 ATOM 29311 HW2 SOL 9246 53.680 55.960 67.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29316 ATOM 29312 OW SOL 9247 39.930 58.450 61.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29317 ATOM 29313 HW1 SOL 9247 40.200 58.390 60.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29318 ATOM 29314 HW2 SOL 9247 38.960 58.710 61.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29319 ATOM 29315 OW SOL 9248 50.910 70.150 65.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29320 ATOM 29316 HW1 SOL 9248 50.990 69.380 64.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29321 ATOM 29317 HW2 SOL 9248 51.660 70.790 65.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29322 ATOM 29318 OW SOL 9249 39.340 58.910 70.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29323 ATOM 29319 HW1 SOL 9249 39.540 58.510 69.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29324 ATOM 29320 HW2 SOL 9249 38.560 59.520 70.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29325 ATOM 29321 OW SOL 9250 47.540 70.160 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29326 ATOM 29322 HW1 SOL 9250 47.320 71.100 61.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29327 ATOM 29323 HW2 SOL 9250 47.630 69.610 62.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29328 ATOM 29324 OW SOL 9251 51.890 59.070 67.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29329 ATOM 29325 HW1 SOL 9251 52.460 58.330 68.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29330 ATOM 29326 HW2 SOL 9251 51.470 59.570 68.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29331 ATOM 29327 OW SOL 9252 47.480 54.660 65.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29332 ATOM 29328 HW1 SOL 9252 46.580 54.830 64.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29333 ATOM 29329 HW2 SOL 9252 48.000 54.040 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29334 ATOM 29330 OW SOL 9253 45.650 66.410 62.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29335 ATOM 29331 HW1 SOL 9253 44.730 66.650 62.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29336 ATOM 29332 HW2 SOL 9253 46.260 66.380 62.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29337 ATOM 29333 OW SOL 9254 42.620 68.880 69.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29338 ATOM 29334 HW1 SOL 9254 43.580 68.600 70.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29339 ATOM 29335 HW2 SOL 9254 42.510 69.770 70.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29340 ATOM 29336 OW SOL 9255 49.500 57.080 57.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29341 ATOM 29337 HW1 SOL 9255 49.270 57.690 57.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29342 ATOM 29338 HW2 SOL 9255 48.950 56.250 57.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29343 ATOM 29339 OW SOL 9256 49.970 60.340 63.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29344 ATOM 29340 HW1 SOL 9256 49.300 60.540 63.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29345 ATOM 29341 HW2 SOL 9256 49.880 59.390 62.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29346 ATOM 29342 OW SOL 9257 53.010 56.230 65.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29347 ATOM 29343 HW1 SOL 9257 53.460 56.210 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29348 ATOM 29344 HW2 SOL 9257 52.320 56.960 65.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29349 ATOM 29345 OW SOL 9258 39.410 67.600 58.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29350 ATOM 29346 HW1 SOL 9258 39.910 66.810 58.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29351 ATOM 29347 HW2 SOL 9258 38.580 67.750 58.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29352 ATOM 29348 OW SOL 9259 55.880 5.380 0.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29353 ATOM 29349 HW1 SOL 9259 55.060 5.700 0.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29354 ATOM 29350 HW2 SOL 9259 56.330 6.160 1.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29355 ATOM 29351 OW SOL 9260 56.320 2.570 10.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29356 ATOM 29352 HW1 SOL 9260 57.120 2.180 10.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29357 ATOM 29353 HW2 SOL 9260 55.540 1.940 10.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29358 ATOM 29354 OW SOL 9261 55.840 2.620 5.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29359 ATOM 29355 HW1 SOL 9261 55.250 1.880 5.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29360 ATOM 29356 HW2 SOL 9261 55.960 2.540 4.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29361 ATOM 29357 OW SOL 9262 59.860 12.730 12.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29362 ATOM 29358 HW1 SOL 9262 58.950 12.450 12.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29363 ATOM 29359 HW2 SOL 9262 59.780 13.410 11.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29364 ATOM 29360 OW SOL 9263 70.870 14.070 5.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29365 ATOM 29361 HW1 SOL 9263 70.810 13.660 6.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29366 ATOM 29362 HW2 SOL 9263 70.110 14.710 5.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29367 ATOM 29363 OW SOL 9264 67.420 5.640 8.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29368 ATOM 29364 HW1 SOL 9264 67.660 4.860 8.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29369 ATOM 29365 HW2 SOL 9264 66.430 5.710 8.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29370 ATOM 29366 OW SOL 9265 72.240 6.240 1.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29371 ATOM 29367 HW1 SOL 9265 71.920 6.760 0.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29372 ATOM 29368 HW2 SOL 9265 71.520 5.640 1.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29373 ATOM 29369 OW SOL 9266 61.840 11.730 11.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29374 ATOM 29370 HW1 SOL 9266 61.190 12.070 11.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29375 ATOM 29371 HW2 SOL 9266 62.290 12.490 10.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29376 ATOM 29372 OW SOL 9267 64.740 7.710 18.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29377 ATOM 29373 HW1 SOL 9267 65.070 8.650 18.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29378 ATOM 29374 HW2 SOL 9267 64.070 7.580 17.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29379 ATOM 29375 OW SOL 9268 60.190 9.810 6.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29380 ATOM 29376 HW1 SOL 9268 60.990 9.550 7.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29381 ATOM 29377 HW2 SOL 9268 59.750 10.600 7.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29382 ATOM 29378 OW SOL 9269 61.920 9.710 17.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29383 ATOM 29379 HW1 SOL 9269 62.250 9.320 16.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29384 ATOM 29380 HW2 SOL 9269 62.070 10.700 17.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29385 ATOM 29381 OW SOL 9270 59.160 14.540 10.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29386 ATOM 29382 HW1 SOL 9270 58.330 14.230 10.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29387 ATOM 29383 HW2 SOL 9270 59.700 15.100 9.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29388 ATOM 29384 OW SOL 9271 70.460 14.590 15.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29389 ATOM 29385 HW1 SOL 9271 71.150 14.930 15.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29390 ATOM 29386 HW2 SOL 9271 69.820 15.320 14.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29391 ATOM 29387 OW SOL 9272 60.500 3.570 15.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29392 ATOM 29388 HW1 SOL 9272 60.960 2.980 15.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29393 ATOM 29389 HW2 SOL 9272 59.620 3.150 15.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29394 ATOM 29390 OW SOL 9273 58.050 18.150 4.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29395 ATOM 29391 HW1 SOL 9273 57.640 18.740 5.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29396 ATOM 29392 HW2 SOL 9273 59.030 18.360 4.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29397 ATOM 29393 OW SOL 9274 66.420 13.370 16.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29398 ATOM 29394 HW1 SOL 9274 67.320 12.950 16.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29399 ATOM 29395 HW2 SOL 9274 65.710 12.690 16.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29400 ATOM 29396 OW SOL 9275 57.430 15.820 6.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29401 ATOM 29397 HW1 SOL 9275 57.450 16.620 6.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29402 ATOM 29398 HW2 SOL 9275 57.150 16.100 7.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29403 ATOM 29399 OW SOL 9276 56.470 9.670 9.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29404 ATOM 29400 HW1 SOL 9276 56.130 8.770 9.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29405 ATOM 29401 HW2 SOL 9276 56.250 10.340 9.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29406 ATOM 29402 OW SOL 9277 61.190 18.480 14.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29407 ATOM 29403 HW1 SOL 9277 61.030 18.050 15.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29408 ATOM 29404 HW2 SOL 9277 61.490 19.430 15.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29409 ATOM 29405 OW SOL 9278 59.150 9.470 1.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29410 ATOM 29406 HW1 SOL 9278 59.540 9.370 1.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29411 ATOM 29407 HW2 SOL 9278 59.880 9.370 2.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29412 ATOM 29408 OW SOL 9279 68.760 71.540 16.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29413 ATOM 29409 HW1 SOL 9279 68.720 71.830 15.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29414 ATOM 29410 HW2 SOL 9279 68.780 72.350 17.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29415 ATOM 29411 OW SOL 9280 54.860 5.270 5.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29416 ATOM 29412 HW1 SOL 9280 55.060 4.310 5.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29417 ATOM 29413 HW2 SOL 9280 54.310 5.370 6.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29418 ATOM 29414 OW SOL 9281 54.760 13.910 1.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29419 ATOM 29415 HW1 SOL 9281 55.570 13.400 1.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29420 ATOM 29416 HW2 SOL 9281 54.590 13.730 2.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29421 ATOM 29417 OW SOL 9282 55.230 7.020 16.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29422 ATOM 29418 HW1 SOL 9282 54.970 7.510 15.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29423 ATOM 29419 HW2 SOL 9282 54.780 6.130 16.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29424 ATOM 29420 OW SOL 9283 60.960 13.050 8.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29425 ATOM 29421 HW1 SOL 9283 60.100 12.640 8.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29426 ATOM 29422 HW2 SOL 9283 61.120 12.880 7.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29427 ATOM 29423 OW SOL 9284 66.200 11.610 13.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29428 ATOM 29424 HW1 SOL 9284 66.800 10.810 13.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29429 ATOM 29425 HW2 SOL 9284 66.690 12.380 14.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29430 ATOM 29426 OW SOL 9285 64.210 0.880 5.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29431 ATOM 29427 HW1 SOL 9285 65.090 0.880 4.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29432 ATOM 29428 HW2 SOL 9285 63.530 0.440 4.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29433 ATOM 29429 OW SOL 9286 56.010 8.710 13.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29434 ATOM 29430 HW1 SOL 9286 56.900 8.280 13.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29435 ATOM 29431 HW2 SOL 9286 55.310 8.240 12.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29436 ATOM 29432 OW SOL 9287 71.300 9.430 1.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29437 ATOM 29433 HW1 SOL 9287 71.010 8.910 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29438 ATOM 29434 HW2 SOL 9287 71.930 10.150 1.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29439 ATOM 29435 OW SOL 9288 68.890 16.980 14.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29440 ATOM 29436 HW1 SOL 9288 68.860 17.400 13.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29441 ATOM 29437 HW2 SOL 9288 67.960 16.910 14.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29442 ATOM 29438 OW SOL 9289 56.950 4.120 16.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29443 ATOM 29439 HW1 SOL 9289 57.210 4.980 17.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29444 ATOM 29440 HW2 SOL 9289 56.020 4.180 16.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29445 ATOM 29441 OW SOL 9290 70.540 13.640 8.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29446 ATOM 29442 HW1 SOL 9290 71.110 14.130 9.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29447 ATOM 29443 HW2 SOL 9290 70.820 12.680 8.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29448 ATOM 29444 OW SOL 9291 0.510 16.810 9.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29449 ATOM 29445 HW1 SOL 9291 0.320 15.960 9.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29450 ATOM 29446 HW2 SOL 9291 1.150 16.620 8.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29451 ATOM 29447 OW SOL 9292 60.280 6.130 4.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29452 ATOM 29448 HW1 SOL 9292 60.400 7.120 4.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29453 ATOM 29449 HW2 SOL 9292 59.320 5.920 4.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29454 ATOM 29450 OW SOL 9293 64.760 1.280 10.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29455 ATOM 29451 HW1 SOL 9293 65.280 0.460 10.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29456 ATOM 29452 HW2 SOL 9293 65.310 1.860 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29457 ATOM 29453 OW SOL 9294 69.660 16.980 2.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29458 ATOM 29454 HW1 SOL 9294 70.310 17.210 1.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29459 ATOM 29455 HW2 SOL 9294 69.140 16.170 2.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29460 ATOM 29456 OW SOL 9295 64.300 4.620 15.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29461 ATOM 29457 HW1 SOL 9295 64.060 3.940 16.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29462 ATOM 29458 HW2 SOL 9295 63.580 4.650 14.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29463 ATOM 29459 OW SOL 9296 70.490 7.930 20.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29464 ATOM 29460 HW1 SOL 9296 69.570 7.650 20.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29465 ATOM 29461 HW2 SOL 9296 70.770 7.400 19.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29466 ATOM 29462 OW SOL 9297 63.780 9.220 15.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29467 ATOM 29463 HW1 SOL 9297 64.540 8.650 14.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29468 ATOM 29464 HW2 SOL 9297 63.290 9.600 14.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29469 ATOM 29465 OW SOL 9298 62.840 1.740 14.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29470 ATOM 29466 HW1 SOL 9298 61.940 1.370 14.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29471 ATOM 29467 HW2 SOL 9298 62.760 2.710 13.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29472 ATOM 29468 OW SOL 9299 64.640 7.020 6.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29473 ATOM 29469 HW1 SOL 9299 64.720 7.040 7.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29474 ATOM 29470 HW2 SOL 9299 64.040 6.270 5.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29475 ATOM 29471 OW SOL 9300 53.470 6.640 7.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29476 ATOM 29472 HW1 SOL 9300 54.170 6.810 8.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29477 ATOM 29473 HW2 SOL 9300 53.010 7.490 7.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29478 ATOM 29474 OW SOL 9301 55.510 21.330 17.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29479 ATOM 29475 HW1 SOL 9301 55.700 20.380 17.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29480 ATOM 29476 HW2 SOL 9301 54.530 21.460 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29481 ATOM 29477 OW SOL 9302 62.820 5.860 1.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29482 ATOM 29478 HW1 SOL 9302 63.730 6.260 1.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29483 ATOM 29479 HW2 SOL 9302 62.860 4.890 1.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29484 ATOM 29480 OW SOL 9303 70.060 6.330 18.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29485 ATOM 29481 HW1 SOL 9303 69.100 6.160 18.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29486 ATOM 29482 HW2 SOL 9303 70.240 5.970 17.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29487 ATOM 29483 OW SOL 9304 70.100 10.930 4.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29488 ATOM 29484 HW1 SOL 9304 70.980 10.560 5.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29489 ATOM 29485 HW2 SOL 9304 70.250 11.600 4.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29490 ATOM 29486 OW SOL 9305 59.520 2.980 7.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29491 ATOM 29487 HW1 SOL 9305 59.310 3.950 7.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29492 ATOM 29488 HW2 SOL 9305 60.430 2.910 7.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29493 ATOM 29489 OW SOL 9306 64.840 15.300 5.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29494 ATOM 29490 HW1 SOL 9306 65.030 16.020 5.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29495 ATOM 29491 HW2 SOL 9306 65.590 14.640 5.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29496 ATOM 29492 OW SOL 9307 58.430 18.120 9.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29497 ATOM 29493 HW1 SOL 9307 59.040 17.330 9.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29498 ATOM 29494 HW2 SOL 9307 58.970 18.930 9.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29499 ATOM 29495 OW SOL 9308 1.740 11.220 9.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29500 ATOM 29496 HW1 SOL 9308 0.940 11.260 9.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29501 ATOM 29497 HW2 SOL 9308 1.860 10.290 10.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29502 ATOM 29498 OW SOL 9309 66.550 16.140 15.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29503 ATOM 29499 HW1 SOL 9309 66.460 15.160 15.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29504 ATOM 29500 HW2 SOL 9309 65.760 16.610 15.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29505 ATOM 29501 OW SOL 9310 57.070 7.620 2.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29506 ATOM 29502 HW1 SOL 9310 57.770 8.310 1.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29507 ATOM 29503 HW2 SOL 9310 57.160 7.320 3.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29508 ATOM 29504 OW SOL 9311 70.760 7.980 7.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29509 ATOM 29505 HW1 SOL 9311 70.640 7.240 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29510 ATOM 29506 HW2 SOL 9311 71.420 8.640 7.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29511 ATOM 29507 OW SOL 9312 58.150 15.510 15.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29512 ATOM 29508 HW1 SOL 9312 58.310 15.510 14.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29513 ATOM 29509 HW2 SOL 9312 57.930 14.580 16.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29514 ATOM 29510 OW SOL 9313 64.250 15.310 2.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29515 ATOM 29511 HW1 SOL 9313 63.430 14.750 2.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29516 ATOM 29512 HW2 SOL 9313 64.570 15.560 3.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29517 ATOM 29513 OW SOL 9314 57.890 2.530 14.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29518 ATOM 29514 HW1 SOL 9314 57.810 3.530 14.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29519 ATOM 29515 HW2 SOL 9314 57.120 2.120 14.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29520 ATOM 29516 OW SOL 9315 60.770 17.360 4.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29521 ATOM 29517 HW1 SOL 9315 61.290 18.200 4.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29522 ATOM 29518 HW2 SOL 9315 61.280 16.610 4.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29523 ATOM 29519 OW SOL 9316 68.490 0.730 1.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29524 ATOM 29520 HW1 SOL 9316 69.260 0.110 1.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29525 ATOM 29521 HW2 SOL 9316 67.630 0.230 1.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29526 ATOM 29522 OW SOL 9317 57.880 18.610 12.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29527 ATOM 29523 HW1 SOL 9317 58.390 18.100 13.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29528 ATOM 29524 HW2 SOL 9317 57.480 17.970 11.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29529 ATOM 29525 OW SOL 9318 63.810 17.420 9.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29530 ATOM 29526 HW1 SOL 9318 63.440 16.500 9.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29531 ATOM 29527 HW2 SOL 9318 63.090 18.020 9.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29532 ATOM 29528 OW SOL 9319 57.290 5.580 4.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29533 ATOM 29529 HW1 SOL 9319 57.220 4.630 4.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29534 ATOM 29530 HW2 SOL 9319 56.590 5.760 5.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29535 ATOM 29531 OW SOL 9320 68.990 1.430 17.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29536 ATOM 29532 HW1 SOL 9320 69.760 2.010 17.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29537 ATOM 29533 HW2 SOL 9320 68.600 1.020 18.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29538 ATOM 29534 OW SOL 9321 62.930 0.910 1.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29539 ATOM 29535 HW1 SOL 9321 63.170 -0.040 1.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29540 ATOM 29536 HW2 SOL 9321 62.520 1.000 0.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29541 ATOM 29537 OW SOL 9322 63.910 0.970 19.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29542 ATOM 29538 HW1 SOL 9322 62.970 0.950 20.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29543 ATOM 29539 HW2 SOL 9322 64.500 1.420 20.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29544 ATOM 29540 OW SOL 9323 62.820 14.950 12.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29545 ATOM 29541 HW1 SOL 9323 62.980 14.550 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29546 ATOM 29542 HW2 SOL 9323 63.260 14.390 12.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29547 ATOM 29543 OW SOL 9324 67.650 6.880 16.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29548 ATOM 29544 HW1 SOL 9324 67.320 7.040 17.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29549 ATOM 29545 HW2 SOL 9324 68.560 7.290 16.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29550 ATOM 29546 OW SOL 9325 63.240 13.550 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29551 ATOM 29547 HW1 SOL 9325 64.140 13.660 9.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29552 ATOM 29548 HW2 SOL 9325 62.540 13.510 8.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29553 ATOM 29549 OW SOL 9326 62.440 4.840 8.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29554 ATOM 29550 HW1 SOL 9326 62.450 4.510 7.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29555 ATOM 29551 HW2 SOL 9326 62.560 4.070 8.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29556 ATOM 29552 OW SOL 9327 58.920 71.160 2.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29557 ATOM 29553 HW1 SOL 9327 59.250 71.540 3.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29558 ATOM 29554 HW2 SOL 9327 58.770 71.890 1.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29559 ATOM 29555 OW SOL 9328 69.980 11.850 1.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29560 ATOM 29556 HW1 SOL 9328 70.310 10.930 0.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29561 ATOM 29557 HW2 SOL 9328 69.140 11.800 1.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29562 ATOM 29558 OW SOL 9329 58.250 0.610 0.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29563 ATOM 29559 HW1 SOL 9329 57.600 0.120 -0.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29564 ATOM 29560 HW2 SOL 9329 58.070 1.590 0.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29565 ATOM 29561 OW SOL 9330 66.550 1.330 3.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29566 ATOM 29562 HW1 SOL 9330 67.540 1.200 3.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29567 ATOM 29563 HW2 SOL 9330 66.160 1.030 2.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29568 ATOM 29564 OW SOL 9331 65.350 7.160 14.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29569 ATOM 29565 HW1 SOL 9331 64.710 6.400 14.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29570 ATOM 29566 HW2 SOL 9331 66.180 6.920 14.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29571 ATOM 29567 OW SOL 9332 68.170 14.770 8.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29572 ATOM 29568 HW1 SOL 9332 68.190 15.560 7.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29573 ATOM 29569 HW2 SOL 9332 69.080 14.370 8.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29574 ATOM 29570 OW SOL 9333 58.550 11.850 8.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29575 ATOM 29571 HW1 SOL 9333 58.150 10.970 8.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29576 ATOM 29572 HW2 SOL 9333 57.930 12.310 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29577 ATOM 29573 OW SOL 9334 67.740 17.510 6.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29578 ATOM 29574 HW1 SOL 9334 67.960 18.230 7.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29579 ATOM 29575 HW2 SOL 9334 66.800 17.620 6.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29580 ATOM 29576 OW SOL 9335 66.860 5.280 1.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29581 ATOM 29577 HW1 SOL 9335 66.200 5.860 1.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29582 ATOM 29578 HW2 SOL 9335 66.550 5.130 2.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29583 ATOM 29579 OW SOL 9336 57.710 5.130 13.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29584 ATOM 29580 HW1 SOL 9336 58.010 5.010 12.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29585 ATOM 29581 HW2 SOL 9336 58.380 5.700 14.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29586 ATOM 29582 OW SOL 9337 60.800 3.530 11.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29587 ATOM 29583 HW1 SOL 9337 61.260 3.160 10.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29588 ATOM 29584 HW2 SOL 9337 59.930 3.050 11.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29589 ATOM 29585 OW SOL 9338 62.300 3.040 6.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29590 ATOM 29586 HW1 SOL 9338 62.980 2.370 5.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29591 ATOM 29587 HW2 SOL 9338 62.380 3.870 5.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29592 ATOM 29588 OW SOL 9339 63.410 0.020 7.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29593 ATOM 29589 HW1 SOL 9339 63.760 0.560 7.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29594 ATOM 29590 HW2 SOL 9339 64.160 -0.470 8.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29595 ATOM 29591 OW SOL 9340 70.660 10.820 8.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29596 ATOM 29592 HW1 SOL 9340 69.770 10.810 8.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29597 ATOM 29593 HW2 SOL 9340 71.370 10.560 8.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29598 ATOM 29594 OW SOL 9341 69.680 4.400 13.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29599 ATOM 29595 HW1 SOL 9341 68.850 4.040 13.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29600 ATOM 29596 HW2 SOL 9341 70.280 3.640 13.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29601 ATOM 29597 OW SOL 9342 1.080 7.420 3.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29602 ATOM 29598 HW1 SOL 9342 0.940 7.110 4.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29603 ATOM 29599 HW2 SOL 9342 0.460 6.940 2.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29604 ATOM 29600 OW SOL 9343 58.810 12.070 4.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29605 ATOM 29601 HW1 SOL 9343 58.250 12.320 5.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29606 ATOM 29602 HW2 SOL 9343 58.260 12.100 3.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29607 ATOM 29603 OW SOL 9344 68.830 6.180 71.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29608 ATOM 29604 HW1 SOL 9344 69.080 5.490 71.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29609 ATOM 29605 HW2 SOL 9344 69.250 7.060 71.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29610 ATOM 29606 OW SOL 9345 61.980 72.500 3.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29611 ATOM 29607 HW1 SOL 9345 61.830 73.320 3.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29612 ATOM 29608 HW2 SOL 9345 61.150 72.300 4.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29613 ATOM 29609 OW SOL 9346 63.820 13.730 14.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29614 ATOM 29610 HW1 SOL 9346 62.970 13.310 14.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29615 ATOM 29611 HW2 SOL 9346 64.530 13.030 14.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29616 ATOM 29612 OW SOL 9347 72.440 15.150 16.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29617 ATOM 29613 HW1 SOL 9347 73.060 14.390 16.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29618 ATOM 29614 HW2 SOL 9347 72.520 15.370 17.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29619 ATOM 29615 OW SOL 9348 67.380 14.210 13.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29620 ATOM 29616 HW1 SOL 9348 67.760 14.890 13.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29621 ATOM 29617 HW2 SOL 9348 66.560 14.580 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29622 ATOM 29618 OW SOL 9349 69.830 10.450 11.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29623 ATOM 29619 HW1 SOL 9349 69.680 11.420 11.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29624 ATOM 29620 HW2 SOL 9349 70.120 10.300 10.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29625 ATOM 29621 OW SOL 9350 65.400 1.070 13.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29626 ATOM 29622 HW1 SOL 9350 64.450 1.370 13.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29627 ATOM 29623 HW2 SOL 9350 65.900 1.200 14.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29628 ATOM 29624 OW SOL 9351 64.580 11.360 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29629 ATOM 29625 HW1 SOL 9351 63.790 11.890 17.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29630 ATOM 29626 HW2 SOL 9351 64.250 10.610 16.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29631 ATOM 29627 OW SOL 9352 60.750 8.970 4.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29632 ATOM 29628 HW1 SOL 9352 60.500 9.240 5.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29633 ATOM 29629 HW2 SOL 9352 61.720 8.740 4.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29634 ATOM 29630 OW SOL 9353 58.840 7.770 12.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29635 ATOM 29631 HW1 SOL 9353 59.520 7.620 13.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29636 ATOM 29632 HW2 SOL 9353 58.570 6.890 12.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29637 ATOM 29633 OW SOL 9354 66.920 4.690 14.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29638 ATOM 29634 HW1 SOL 9354 67.370 5.580 14.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29639 ATOM 29635 HW2 SOL 9354 65.930 4.810 14.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29640 ATOM 29636 OW SOL 9355 55.650 14.870 13.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29641 ATOM 29637 HW1 SOL 9355 54.900 15.030 13.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29642 ATOM 29638 HW2 SOL 9355 56.460 15.380 13.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29643 ATOM 29639 OW SOL 9356 56.530 10.170 4.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29644 ATOM 29640 HW1 SOL 9356 57.510 10.120 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29645 ATOM 29641 HW2 SOL 9356 56.380 10.740 3.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29646 ATOM 29642 OW SOL 9357 58.800 5.480 7.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29647 ATOM 29643 HW1 SOL 9357 58.250 6.200 7.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29648 ATOM 29644 HW2 SOL 9357 59.380 5.880 8.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29649 ATOM 29645 OW SOL 9358 67.020 13.640 5.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29650 ATOM 29646 HW1 SOL 9358 67.820 14.090 5.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29651 ATOM 29647 HW2 SOL 9358 66.800 12.820 5.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29652 ATOM 29648 OW SOL 9359 69.670 12.970 13.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29653 ATOM 29649 HW1 SOL 9359 69.970 13.560 13.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29654 ATOM 29650 HW2 SOL 9359 68.700 13.140 12.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29655 ATOM 29651 OW SOL 9360 69.280 3.040 4.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29656 ATOM 29652 HW1 SOL 9360 68.530 3.100 4.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29657 ATOM 29653 HW2 SOL 9360 69.480 3.960 3.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29658 ATOM 29654 OW SOL 9361 58.200 15.690 12.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29659 ATOM 29655 HW1 SOL 9361 58.170 14.980 12.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29660 ATOM 29656 HW2 SOL 9361 59.150 15.940 13.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29661 ATOM 29657 OW SOL 9362 60.560 6.200 14.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29662 ATOM 29658 HW1 SOL 9362 61.480 6.250 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29663 ATOM 29659 HW2 SOL 9362 60.370 5.250 14.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29664 ATOM 29660 OW SOL 9363 70.820 8.420 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29665 ATOM 29661 HW1 SOL 9363 69.940 8.800 16.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29666 ATOM 29662 HW2 SOL 9363 71.320 9.100 15.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29667 ATOM 29663 OW SOL 9364 65.030 0.420 17.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29668 ATOM 29664 HW1 SOL 9364 65.590 1.120 16.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29669 ATOM 29665 HW2 SOL 9364 65.030 0.590 18.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29670 ATOM 29666 OW SOL 9365 60.470 0.360 14.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29671 ATOM 29667 HW1 SOL 9365 59.770 0.240 15.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29672 ATOM 29668 HW2 SOL 9365 60.080 0.220 13.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29673 ATOM 29669 OW SOL 9366 61.080 9.020 10.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29674 ATOM 29670 HW1 SOL 9366 61.220 10.010 10.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29675 ATOM 29671 HW2 SOL 9366 60.150 8.780 11.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29676 ATOM 29672 OW SOL 9367 69.830 6.660 9.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29677 ATOM 29673 HW1 SOL 9367 68.970 6.170 9.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29678 ATOM 29674 HW2 SOL 9367 70.040 7.180 8.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29679 ATOM 29675 OW SOL 9368 66.300 5.330 4.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29680 ATOM 29676 HW1 SOL 9368 66.470 4.680 5.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29681 ATOM 29677 HW2 SOL 9368 65.790 6.120 4.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29682 ATOM 29678 OW SOL 9369 58.650 1.770 11.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29683 ATOM 29679 HW1 SOL 9369 58.310 1.940 12.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29684 ATOM 29680 HW2 SOL 9369 59.080 0.860 11.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29685 ATOM 29681 OW SOL 9370 55.490 10.990 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29686 ATOM 29682 HW1 SOL 9370 55.230 10.520 12.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29687 ATOM 29683 HW2 SOL 9370 54.720 11.520 10.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29688 ATOM 29684 OW SOL 9371 60.550 6.670 9.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29689 ATOM 29685 HW1 SOL 9371 61.320 6.150 9.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29690 ATOM 29686 HW2 SOL 9371 60.880 7.530 10.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29691 ATOM 29687 OW SOL 9372 59.640 72.310 5.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29692 ATOM 29688 HW1 SOL 9372 58.990 73.070 4.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29693 ATOM 29689 HW2 SOL 9372 59.840 72.130 6.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29694 ATOM 29690 OW SOL 9373 69.450 5.690 3.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29695 ATOM 29691 HW1 SOL 9373 69.980 6.500 3.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29696 ATOM 29692 HW2 SOL 9373 68.590 5.970 2.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29697 ATOM 29693 OW SOL 9374 64.750 6.340 8.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29698 ATOM 29694 HW1 SOL 9374 64.320 7.120 9.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29699 ATOM 29695 HW2 SOL 9374 64.050 5.680 8.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29700 ATOM 29696 OW SOL 9375 63.330 16.260 15.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29701 ATOM 29697 HW1 SOL 9375 63.520 17.020 14.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29702 ATOM 29698 HW2 SOL 9375 63.520 15.390 14.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29703 ATOM 29699 OW SOL 9376 59.800 8.220 16.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29704 ATOM 29700 HW1 SOL 9376 60.580 8.750 16.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29705 ATOM 29701 HW2 SOL 9376 60.090 7.620 15.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29706 ATOM 29702 OW SOL 9377 69.740 4.220 0.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29707 ATOM 29703 HW1 SOL 9377 70.620 3.790 0.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29708 ATOM 29704 HW2 SOL 9377 69.140 4.170 1.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29709 ATOM 29705 OW SOL 9378 67.680 9.680 1.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29710 ATOM 29706 HW1 SOL 9378 67.880 9.800 0.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29711 ATOM 29707 HW2 SOL 9378 66.750 9.330 1.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29712 ATOM 29708 OW SOL 9379 65.660 13.650 8.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29713 ATOM 29709 HW1 SOL 9379 65.770 13.240 7.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29714 ATOM 29710 HW2 SOL 9379 66.440 14.230 8.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29715 ATOM 29711 OW SOL 9380 55.430 7.150 9.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29716 ATOM 29712 HW1 SOL 9380 55.790 6.240 9.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29717 ATOM 29713 HW2 SOL 9380 55.070 7.160 10.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29718 ATOM 29714 OW SOL 9381 56.490 4.730 9.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29719 ATOM 29715 HW1 SOL 9381 56.380 3.850 9.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29720 ATOM 29716 HW2 SOL 9381 57.160 4.630 8.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29721 ATOM 29717 OW SOL 9382 67.090 6.210 19.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29722 ATOM 29718 HW1 SOL 9382 66.190 6.640 19.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29723 ATOM 29719 HW2 SOL 9382 67.630 6.610 19.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29724 ATOM 29720 OW SOL 9383 66.870 2.180 15.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29725 ATOM 29721 HW1 SOL 9383 67.030 3.100 15.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29726 ATOM 29722 HW2 SOL 9383 67.650 1.900 16.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29727 ATOM 29723 OW SOL 9384 51.880 10.090 1.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29728 ATOM 29724 HW1 SOL 9384 51.740 10.080 0.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29729 ATOM 29725 HW2 SOL 9384 52.800 9.780 1.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29730 ATOM 29726 OW SOL 9385 55.950 17.810 10.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29731 ATOM 29727 HW1 SOL 9385 55.700 16.880 9.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29732 ATOM 29728 HW2 SOL 9385 56.920 17.960 9.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29733 ATOM 29729 OW SOL 9386 60.420 15.910 8.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29734 ATOM 29730 HW1 SOL 9386 61.020 16.700 8.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29735 ATOM 29731 HW2 SOL 9386 60.790 15.180 8.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29736 ATOM 29732 OW SOL 9387 64.170 9.070 9.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29737 ATOM 29733 HW1 SOL 9387 65.130 8.960 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29738 ATOM 29734 HW2 SOL 9387 64.100 9.490 10.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29739 ATOM 29735 OW SOL 9388 55.340 4.410 12.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29740 ATOM 29736 HW1 SOL 9388 55.770 4.010 11.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29741 ATOM 29737 HW2 SOL 9388 56.040 4.580 13.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29742 ATOM 29738 OW SOL 9389 57.820 6.850 17.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29743 ATOM 29739 HW1 SOL 9389 58.620 7.390 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29744 ATOM 29740 HW2 SOL 9389 57.090 7.000 16.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29745 ATOM 29741 OW SOL 9390 68.850 9.930 16.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29746 ATOM 29742 HW1 SOL 9390 69.290 10.820 16.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29747 ATOM 29743 HW2 SOL 9390 68.330 9.870 15.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29748 ATOM 29744 OW SOL 9391 62.810 5.270 4.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29749 ATOM 29745 HW1 SOL 9391 62.960 4.620 3.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29750 ATOM 29746 HW2 SOL 9391 62.030 5.850 4.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29751 ATOM 29747 OW SOL 9392 57.680 12.980 17.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29752 ATOM 29748 HW1 SOL 9392 56.750 13.120 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29753 ATOM 29749 HW2 SOL 9392 57.940 12.020 17.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29754 ATOM 29750 OW SOL 9393 62.810 4.540 12.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29755 ATOM 29751 HW1 SOL 9393 62.060 4.000 12.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29756 ATOM 29752 HW2 SOL 9393 62.880 5.400 12.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29757 ATOM 29753 OW SOL 9394 64.380 18.260 13.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29758 ATOM 29754 HW1 SOL 9394 64.100 18.480 12.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29759 ATOM 29755 HW2 SOL 9394 65.140 18.860 14.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29760 ATOM 29756 OW SOL 9395 59.860 3.400 0.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29761 ATOM 29757 HW1 SOL 9395 60.050 4.370 0.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29762 ATOM 29758 HW2 SOL 9395 60.070 3.160 1.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29763 ATOM 29759 OW SOL 9396 55.620 10.540 15.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29764 ATOM 29760 HW1 SOL 9396 55.940 10.450 16.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29765 ATOM 29761 HW2 SOL 9396 56.120 9.910 14.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29766 ATOM 29762 OW SOL 9397 66.690 8.510 9.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29767 ATOM 29763 HW1 SOL 9397 66.510 7.540 8.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29768 ATOM 29764 HW2 SOL 9397 67.660 8.700 9.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29769 ATOM 29765 OW SOL 9398 69.420 8.760 3.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29770 ATOM 29766 HW1 SOL 9398 68.780 9.100 2.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29771 ATOM 29767 HW2 SOL 9398 69.400 9.360 4.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29772 ATOM 29768 OW SOL 9399 0.790 17.040 13.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29773 ATOM 29769 HW1 SOL 9399 1.520 16.390 13.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29774 ATOM 29770 HW2 SOL 9399 -0.100 16.620 13.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29775 ATOM 29771 OW SOL 9400 68.650 18.410 12.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29776 ATOM 29772 HW1 SOL 9400 69.300 19.000 11.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29777 ATOM 29773 HW2 SOL 9400 68.010 18.980 12.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29778 ATOM 29774 OW SOL 9401 56.860 13.050 10.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29779 ATOM 29775 HW1 SOL 9401 56.300 12.300 10.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29780 ATOM 29776 HW2 SOL 9401 57.740 12.690 9.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29781 ATOM 29777 OW SOL 9402 63.310 17.760 17.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29782 ATOM 29778 HW1 SOL 9402 64.280 17.920 18.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29783 ATOM 29779 HW2 SOL 9402 63.240 17.060 17.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29784 ATOM 29780 OW SOL 9403 63.760 3.390 2.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29785 ATOM 29781 HW1 SOL 9403 63.260 2.610 1.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29786 ATOM 29782 HW2 SOL 9403 64.700 3.390 1.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29787 ATOM 29783 OW SOL 9404 68.870 15.760 5.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29788 ATOM 29784 HW1 SOL 9404 69.270 16.140 4.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29789 ATOM 29785 HW2 SOL 9404 68.530 16.500 5.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29790 ATOM 29786 OW SOL 9405 55.450 18.590 17.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29791 ATOM 29787 HW1 SOL 9405 54.700 18.130 17.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29792 ATOM 29788 HW2 SOL 9405 55.340 18.500 18.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29793 ATOM 29789 OW SOL 9406 68.770 9.940 7.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29794 ATOM 29790 HW1 SOL 9406 69.370 9.160 7.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29795 ATOM 29791 HW2 SOL 9406 69.070 10.340 6.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29796 ATOM 29792 OW SOL 9407 61.550 12.710 15.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29797 ATOM 29793 HW1 SOL 9407 61.370 13.500 15.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29798 ATOM 29794 HW2 SOL 9407 60.940 12.730 14.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29799 ATOM 29795 OW SOL 9408 59.460 16.790 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29800 ATOM 29796 HW1 SOL 9408 58.680 16.160 2.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29801 ATOM 29797 HW2 SOL 9408 59.870 16.880 3.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29802 ATOM 29798 OW SOL 9409 58.520 2.260 5.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29803 ATOM 29799 HW1 SOL 9409 57.530 2.130 5.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29804 ATOM 29800 HW2 SOL 9409 58.820 2.730 6.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29805 ATOM 29801 OW SOL 9410 68.120 15.040 2.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29806 ATOM 29802 HW1 SOL 9410 67.750 14.130 2.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29807 ATOM 29803 HW2 SOL 9410 67.520 15.500 2.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29808 ATOM 29804 OW SOL 9411 64.060 10.550 12.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29809 ATOM 29805 HW1 SOL 9411 63.410 11.090 11.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29810 ATOM 29806 HW2 SOL 9411 64.720 11.160 12.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29811 ATOM 29807 OW SOL 9412 63.350 8.500 4.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29812 ATOM 29808 HW1 SOL 9412 63.830 8.480 3.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29813 ATOM 29809 HW2 SOL 9412 63.930 8.080 4.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29814 ATOM 29810 OW SOL 9413 71.110 17.380 0.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29815 ATOM 29811 HW1 SOL 9413 70.830 17.420 -0.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29816 ATOM 29812 HW2 SOL 9413 72.020 16.970 0.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29817 ATOM 29813 OW SOL 9414 57.320 12.340 13.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29818 ATOM 29814 HW1 SOL 9414 56.840 13.210 13.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29819 ATOM 29815 HW2 SOL 9414 56.810 11.730 14.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29820 ATOM 29816 OW SOL 9415 65.760 11.630 6.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29821 ATOM 29817 HW1 SOL 9415 64.810 11.440 6.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29822 ATOM 29818 HW2 SOL 9415 66.190 10.810 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29823 ATOM 29819 OW SOL 9416 62.480 2.340 9.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29824 ATOM 29820 HW1 SOL 9416 62.300 1.700 8.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29825 ATOM 29821 HW2 SOL 9416 63.370 2.140 9.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29826 ATOM 29822 OW SOL 9417 61.350 12.570 5.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29827 ATOM 29823 HW1 SOL 9417 62.070 11.880 5.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29828 ATOM 29824 HW2 SOL 9417 60.530 12.190 5.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29829 ATOM 29825 OW SOL 9418 57.100 13.110 6.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29830 ATOM 29826 HW1 SOL 9418 56.120 13.140 6.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29831 ATOM 29827 HW2 SOL 9418 57.460 14.040 6.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29832 ATOM 29828 OW SOL 9419 58.210 10.260 17.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29833 ATOM 29829 HW1 SOL 9419 57.290 9.900 17.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29834 ATOM 29830 HW2 SOL 9419 58.830 9.530 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29835 ATOM 29831 OW SOL 9420 62.380 3.000 17.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29836 ATOM 29832 HW1 SOL 9420 62.440 2.000 17.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29837 ATOM 29833 HW2 SOL 9420 63.280 3.360 17.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29838 ATOM 29834 OW SOL 9421 53.830 1.330 70.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29839 ATOM 29835 HW1 SOL 9421 54.310 2.100 70.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29840 ATOM 29836 HW2 SOL 9421 52.920 1.250 70.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29841 ATOM 29837 OW SOL 9422 68.310 9.560 13.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29842 ATOM 29838 HW1 SOL 9422 68.970 9.990 13.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29843 ATOM 29839 HW2 SOL 9422 68.070 8.650 13.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29844 ATOM 29840 OW SOL 9423 53.830 1.690 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29845 ATOM 29841 HW1 SOL 9423 54.510 2.270 0.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29846 ATOM 29842 HW2 SOL 9423 54.240 0.810 1.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29847 ATOM 29843 OW SOL 9424 67.410 12.360 2.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29848 ATOM 29844 HW1 SOL 9424 67.240 11.390 2.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29849 ATOM 29845 HW2 SOL 9424 67.050 12.590 3.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29850 ATOM 29846 OW SOL 9425 62.620 7.320 12.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29851 ATOM 29847 HW1 SOL 9425 61.830 7.880 12.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29852 ATOM 29848 HW2 SOL 9425 63.440 7.890 12.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29853 ATOM 29849 OW SOL 9426 70.700 20.070 11.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29854 ATOM 29850 HW1 SOL 9426 71.390 19.770 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29855 ATOM 29851 HW2 SOL 9426 71.150 20.310 12.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29856 ATOM 29852 OW SOL 9427 64.730 3.960 18.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29857 ATOM 29853 HW1 SOL 9427 65.430 4.410 17.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29858 ATOM 29854 HW2 SOL 9427 65.170 3.560 18.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29859 ATOM 29855 OW SOL 9428 69.230 12.700 16.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29860 ATOM 29856 HW1 SOL 9428 69.130 12.880 17.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29861 ATOM 29857 HW2 SOL 9428 69.950 13.280 16.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29862 ATOM 29858 OW SOL 9429 58.030 17.880 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29863 ATOM 29859 HW1 SOL 9429 57.100 18.070 17.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29864 ATOM 29860 HW2 SOL 9429 58.090 16.940 17.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29865 ATOM 29861 OW SOL 9430 69.440 6.970 12.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29866 ATOM 29862 HW1 SOL 9430 69.610 5.990 12.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29867 ATOM 29863 HW2 SOL 9430 69.770 7.250 11.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29868 ATOM 29864 OW SOL 9431 66.700 3.100 5.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29869 ATOM 29865 HW1 SOL 9431 66.630 2.230 5.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29870 ATOM 29866 HW2 SOL 9431 66.040 3.130 6.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29871 ATOM 29867 OW SOL 9432 57.590 7.810 6.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29872 ATOM 29868 HW1 SOL 9432 58.100 8.610 7.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29873 ATOM 29869 HW2 SOL 9432 56.630 8.070 6.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29874 ATOM 29870 OW SOL 9433 71.850 8.950 12.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29875 ATOM 29871 HW1 SOL 9433 71.120 9.570 12.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29876 ATOM 29872 HW2 SOL 9433 71.450 8.100 12.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29877 ATOM 29873 OW SOL 9434 64.340 11.890 2.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29878 ATOM 29874 HW1 SOL 9434 63.490 12.390 2.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29879 ATOM 29875 HW2 SOL 9434 64.670 12.120 1.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29880 ATOM 29876 OW SOL 9435 61.650 18.290 8.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29881 ATOM 29877 HW1 SOL 9435 61.710 18.640 7.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29882 ATOM 29878 HW2 SOL 9435 61.110 18.930 8.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29883 ATOM 29879 OW SOL 9436 62.650 10.290 8.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29884 ATOM 29880 HW1 SOL 9436 63.180 9.900 8.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29885 ATOM 29881 HW2 SOL 9436 62.440 11.250 8.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29886 ATOM 29882 OW SOL 9437 64.820 9.280 1.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29887 ATOM 29883 HW1 SOL 9437 63.950 9.070 1.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29888 ATOM 29884 HW2 SOL 9437 64.770 10.210 1.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29889 ATOM 29885 OW SOL 9438 1.130 15.550 6.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29890 ATOM 29886 HW1 SOL 9438 0.170 15.290 6.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29891 ATOM 29887 HW2 SOL 9438 1.700 14.730 6.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29892 ATOM 29888 OW SOL 9439 58.210 11.540 19.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29893 ATOM 29889 HW1 SOL 9439 58.290 11.140 18.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29894 ATOM 29890 HW2 SOL 9439 57.430 11.130 20.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29895 ATOM 29891 OW SOL 9440 54.750 10.070 6.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29896 ATOM 29892 HW1 SOL 9440 55.090 9.700 7.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29897 ATOM 29893 HW2 SOL 9440 55.530 10.280 6.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29898 ATOM 29894 OW SOL 9441 61.090 14.860 16.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29899 ATOM 29895 HW1 SOL 9441 60.160 15.100 17.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29900 ATOM 29896 HW2 SOL 9441 61.560 15.690 16.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29901 ATOM 29897 OW SOL 9442 69.410 0.370 13.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29902 ATOM 29898 HW1 SOL 9442 69.600 -0.380 13.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29903 ATOM 29899 HW2 SOL 9442 69.800 1.220 13.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29904 ATOM 29900 OW SOL 9443 60.180 3.390 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29905 ATOM 29901 HW1 SOL 9443 60.400 4.360 3.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29906 ATOM 29902 HW2 SOL 9443 59.800 3.130 4.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29907 ATOM 29903 OW SOL 9444 58.450 4.950 11.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29908 ATOM 29904 HW1 SOL 9444 59.360 4.560 11.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29909 ATOM 29905 HW2 SOL 9444 57.910 4.870 10.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29910 ATOM 29906 OW SOL 9445 62.010 15.220 5.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29911 ATOM 29907 HW1 SOL 9445 62.990 15.410 5.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29912 ATOM 29908 HW2 SOL 9445 61.850 14.240 5.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29913 ATOM 29909 OW SOL 9446 66.920 2.880 12.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29914 ATOM 29910 HW1 SOL 9446 66.560 2.120 12.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29915 ATOM 29911 HW2 SOL 9446 66.900 3.710 12.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29916 ATOM 29912 OW SOL 9447 65.900 71.460 8.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29917 ATOM 29913 HW1 SOL 9447 65.600 70.890 9.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29918 ATOM 29914 HW2 SOL 9447 66.890 71.580 8.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29919 ATOM 29915 OW SOL 9448 63.610 11.130 4.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29920 ATOM 29916 HW1 SOL 9448 64.090 11.640 3.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29921 ATOM 29917 HW2 SOL 9448 63.320 10.240 4.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29922 ATOM 29918 OW SOL 9449 60.660 16.270 13.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29923 ATOM 29919 HW1 SOL 9449 60.890 17.180 13.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29924 ATOM 29920 HW2 SOL 9449 61.440 15.890 13.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29925 ATOM 29921 OW SOL 9450 66.590 2.440 0.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29926 ATOM 29922 HW1 SOL 9450 67.310 1.920 1.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29927 ATOM 29923 HW2 SOL 9450 66.670 3.410 1.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29928 ATOM 29924 OW SOL 9451 64.960 2.960 7.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29929 ATOM 29925 HW1 SOL 9451 64.010 3.030 8.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29930 ATOM 29926 HW2 SOL 9451 65.440 2.310 8.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29931 ATOM 29927 OW SOL 9452 68.940 3.420 7.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29932 ATOM 29928 HW1 SOL 9452 68.250 3.000 7.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29933 ATOM 29929 HW2 SOL 9452 68.960 2.940 8.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29934 ATOM 29930 OW SOL 9453 54.390 8.280 2.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29935 ATOM 29931 HW1 SOL 9453 55.380 8.420 2.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29936 ATOM 29932 HW2 SOL 9453 54.070 7.860 2.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29937 ATOM 29933 OW SOL 9454 61.980 13.210 3.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29938 ATOM 29934 HW1 SOL 9454 61.200 13.510 2.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29939 ATOM 29935 HW2 SOL 9454 61.680 12.990 3.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29940 ATOM 29936 OW SOL 9455 57.080 7.030 20.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29941 ATOM 29937 HW1 SOL 9455 56.340 6.510 20.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29942 ATOM 29938 HW2 SOL 9455 57.090 6.850 19.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29943 ATOM 29939 OW SOL 9456 55.660 1.940 28.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29944 ATOM 29940 HW1 SOL 9456 56.390 2.080 27.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29945 ATOM 29941 HW2 SOL 9456 54.780 2.120 27.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29946 ATOM 29942 OW SOL 9457 56.640 3.140 22.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29947 ATOM 29943 HW1 SOL 9457 56.200 2.660 23.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29948 ATOM 29944 HW2 SOL 9457 56.100 2.990 22.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29949 ATOM 29945 OW SOL 9458 61.350 13.280 30.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29950 ATOM 29946 HW1 SOL 9458 60.860 13.640 29.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29951 ATOM 29947 HW2 SOL 9458 61.790 14.040 31.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29952 ATOM 29948 OW SOL 9459 72.110 17.070 26.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29953 ATOM 29949 HW1 SOL 9459 71.760 16.140 26.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29954 ATOM 29950 HW2 SOL 9459 73.100 17.070 26.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29955 ATOM 29951 OW SOL 9460 68.960 9.420 26.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29956 ATOM 29952 HW1 SOL 9460 69.290 9.010 26.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29957 ATOM 29953 HW2 SOL 9460 69.270 8.870 27.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29958 ATOM 29954 OW SOL 9461 0.480 7.060 20.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29959 ATOM 29955 HW1 SOL 9461 -0.310 7.370 20.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29960 ATOM 29956 HW2 SOL 9461 0.240 6.220 19.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29961 ATOM 29957 OW SOL 9462 63.260 11.270 28.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29962 ATOM 29958 HW1 SOL 9462 63.590 11.760 29.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29963 ATOM 29959 HW2 SOL 9462 62.960 11.930 27.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29964 ATOM 29960 OW SOL 9463 65.570 6.630 36.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29965 ATOM 29961 HW1 SOL 9463 65.660 6.970 37.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29966 ATOM 29962 HW2 SOL 9463 65.570 7.390 35.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29967 ATOM 29963 OW SOL 9464 62.560 9.800 25.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29968 ATOM 29964 HW1 SOL 9464 61.660 10.250 25.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29969 ATOM 29965 HW2 SOL 9464 63.190 10.360 26.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29970 ATOM 29966 OW SOL 9465 62.660 11.660 36.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29971 ATOM 29967 HW1 SOL 9465 62.710 11.900 37.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29972 ATOM 29968 HW2 SOL 9465 62.380 12.460 35.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29973 ATOM 29969 OW SOL 9466 59.280 14.050 28.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29974 ATOM 29970 HW1 SOL 9466 59.110 13.160 28.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29975 ATOM 29971 HW2 SOL 9466 59.470 14.720 28.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29976 ATOM 29972 OW SOL 9467 69.480 15.090 33.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29977 ATOM 29973 HW1 SOL 9467 70.120 15.210 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29978 ATOM 29974 HW2 SOL 9467 68.690 14.570 33.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29979 ATOM 29975 OW SOL 9468 59.170 3.690 33.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29980 ATOM 29976 HW1 SOL 9468 59.790 2.990 33.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29981 ATOM 29977 HW2 SOL 9468 58.760 3.380 34.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29982 ATOM 29978 OW SOL 9469 56.700 17.890 22.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29983 ATOM 29979 HW1 SOL 9469 56.980 17.640 23.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29984 ATOM 29980 HW2 SOL 9469 57.500 17.970 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29985 ATOM 29981 OW SOL 9470 66.410 13.240 36.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29986 ATOM 29982 HW1 SOL 9470 66.980 13.220 37.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29987 ATOM 29983 HW2 SOL 9470 65.950 12.360 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29988 ATOM 29984 OW SOL 9471 56.520 14.850 22.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29989 ATOM 29985 HW1 SOL 9471 56.290 15.810 22.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29990 ATOM 29986 HW2 SOL 9471 56.110 14.320 22.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29991 ATOM 29987 OW SOL 9472 58.780 11.520 27.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29992 ATOM 29988 HW1 SOL 9472 59.350 10.910 27.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29993 ATOM 29989 HW2 SOL 9472 58.430 11.040 28.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29994 ATOM 29990 OW SOL 9473 61.010 16.460 33.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29995 ATOM 29991 HW1 SOL 9473 60.610 15.980 34.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29996 ATOM 29992 HW2 SOL 9473 61.470 17.290 33.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29997 ATOM 29993 OW SOL 9474 60.800 9.500 20.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29998 ATOM 29994 HW1 SOL 9474 61.000 9.670 19.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
29999 ATOM 29995 HW2 SOL 9474 61.220 10.200 20.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30000 ATOM 29996 OW SOL 9475 70.220 1.840 33.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30001 ATOM 29997 HW1 SOL 9475 69.720 1.490 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30002 ATOM 29998 HW2 SOL 9475 70.130 1.190 34.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30003 ATOM 29999 OW SOL 9476 56.420 5.200 26.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30004 ATOM 30000 HW1 SOL 9476 57.100 4.770 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30005 ATOM 30001 HW2 SOL 9476 56.140 6.080 26.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30006 ATOM 30002 OW SOL 9477 55.230 13.230 18.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30007 ATOM 30003 HW1 SOL 9477 54.240 13.380 18.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30008 ATOM 30004 HW2 SOL 9477 55.460 12.610 19.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30009 ATOM 30005 OW SOL 9478 72.100 8.700 24.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30010 ATOM 30006 HW1 SOL 9478 72.530 8.300 25.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30011 ATOM 30007 HW2 SOL 9478 72.650 8.490 23.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30012 ATOM 30008 OW SOL 9479 55.700 7.720 32.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30013 ATOM 30009 HW1 SOL 9479 56.150 8.200 32.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30014 ATOM 30010 HW2 SOL 9479 55.340 6.840 32.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30015 ATOM 30011 OW SOL 9480 60.960 13.390 24.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30016 ATOM 30012 HW1 SOL 9480 60.450 12.530 25.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30017 ATOM 30013 HW2 SOL 9480 60.890 13.760 24.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30018 ATOM 30014 OW SOL 9481 68.160 11.510 33.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30019 ATOM 30015 HW1 SOL 9481 68.190 10.680 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30020 ATOM 30016 HW2 SOL 9481 67.510 12.160 33.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30021 ATOM 30017 OW SOL 9482 63.070 1.570 24.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30022 ATOM 30018 HW1 SOL 9482 63.670 2.170 24.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30023 ATOM 30019 HW2 SOL 9482 63.070 1.890 25.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30024 ATOM 30020 OW SOL 9483 57.810 8.740 31.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30025 ATOM 30021 HW1 SOL 9483 58.800 8.580 31.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30026 ATOM 30022 HW2 SOL 9483 57.610 9.400 30.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30027 ATOM 30023 OW SOL 9484 70.740 11.160 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30028 ATOM 30024 HW1 SOL 9484 70.080 10.650 21.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30029 ATOM 30025 HW2 SOL 9484 71.650 10.770 21.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30030 ATOM 30026 OW SOL 9485 68.490 22.000 31.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30031 ATOM 30027 HW1 SOL 9485 68.750 22.940 31.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30032 ATOM 30028 HW2 SOL 9485 69.280 21.520 31.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30033 ATOM 30029 OW SOL 9486 56.030 3.680 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30034 ATOM 30030 HW1 SOL 9486 56.830 4.270 39.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30035 ATOM 30031 HW2 SOL 9486 55.910 3.440 38.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30036 ATOM 30032 OW SOL 9487 71.320 14.590 26.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30037 ATOM 30033 HW1 SOL 9487 71.260 14.340 27.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30038 ATOM 30034 HW2 SOL 9487 71.340 13.770 26.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30039 ATOM 30035 OW SOL 9488 0.000 20.680 22.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30040 ATOM 30036 HW1 SOL 9488 0.730 20.640 23.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30041 ATOM 30037 HW2 SOL 9488 0.280 20.160 21.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30042 ATOM 30038 OW SOL 9489 61.260 7.020 21.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30043 ATOM 30039 HW1 SOL 9489 62.220 7.110 21.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30044 ATOM 30040 HW2 SOL 9489 60.930 7.900 20.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30045 ATOM 30041 OW SOL 9490 67.390 2.420 30.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30046 ATOM 30042 HW1 SOL 9490 66.700 2.540 29.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30047 ATOM 30043 HW2 SOL 9490 67.580 3.290 31.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30048 ATOM 30044 OW SOL 9491 71.420 17.330 20.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30049 ATOM 30045 HW1 SOL 9491 72.070 18.080 20.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30050 ATOM 30046 HW2 SOL 9491 70.690 17.380 19.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30051 ATOM 30047 OW SOL 9492 63.390 5.810 32.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30052 ATOM 30048 HW1 SOL 9492 63.920 5.280 33.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30053 ATOM 30049 HW2 SOL 9492 62.750 5.210 32.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30054 ATOM 30050 OW SOL 9493 68.890 4.040 34.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30055 ATOM 30051 HW1 SOL 9493 69.480 4.850 34.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30056 ATOM 30052 HW2 SOL 9493 69.440 3.220 34.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30057 ATOM 30053 OW SOL 9494 65.280 8.800 34.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30058 ATOM 30054 HW1 SOL 9494 66.280 8.790 34.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30059 ATOM 30055 HW2 SOL 9494 65.050 9.170 33.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30060 ATOM 30056 OW SOL 9495 65.630 2.650 28.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30061 ATOM 30057 HW1 SOL 9495 64.690 2.310 28.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30062 ATOM 30058 HW2 SOL 9495 66.180 2.020 28.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30063 ATOM 30059 OW SOL 9496 65.680 10.070 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30064 ATOM 30060 HW1 SOL 9496 66.050 9.700 23.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30065 ATOM 30061 HW2 SOL 9496 64.680 10.020 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30066 ATOM 30062 OW SOL 9497 56.550 7.470 27.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30067 ATOM 30063 HW1 SOL 9497 57.190 7.090 28.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30068 ATOM 30064 HW2 SOL 9497 55.700 7.720 28.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30069 ATOM 30065 OW SOL 9498 55.830 17.110 35.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30070 ATOM 30066 HW1 SOL 9498 56.590 17.380 36.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30071 ATOM 30067 HW2 SOL 9498 55.150 16.610 36.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30072 ATOM 30068 OW SOL 9499 63.610 4.460 22.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30073 ATOM 30069 HW1 SOL 9499 63.610 5.450 22.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30074 ATOM 30070 HW2 SOL 9499 64.080 4.240 21.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30075 ATOM 30071 OW SOL 9500 70.180 6.190 34.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30076 ATOM 30072 HW1 SOL 9500 70.130 6.730 35.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30077 ATOM 30073 HW2 SOL 9500 71.140 6.000 34.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30078 ATOM 30074 OW SOL 9501 71.410 13.130 24.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30079 ATOM 30075 HW1 SOL 9501 71.280 12.910 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30080 ATOM 30076 HW2 SOL 9501 72.000 13.930 24.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30081 ATOM 30077 OW SOL 9502 62.530 2.730 27.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30082 ATOM 30078 HW1 SOL 9502 62.260 1.920 27.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30083 ATOM 30079 HW2 SOL 9502 61.810 3.430 27.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30084 ATOM 30080 OW SOL 9503 65.240 15.380 22.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30085 ATOM 30081 HW1 SOL 9503 64.430 15.970 22.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30086 ATOM 30082 HW2 SOL 9503 66.060 15.920 22.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30087 ATOM 30083 OW SOL 9504 58.850 18.030 27.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30088 ATOM 30084 HW1 SOL 9504 59.410 17.240 27.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30089 ATOM 30085 HW2 SOL 9504 59.430 18.830 27.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30090 ATOM 30086 OW SOL 9505 72.560 11.090 25.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30091 ATOM 30087 HW1 SOL 9505 72.440 10.240 25.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30092 ATOM 30088 HW2 SOL 9505 72.330 11.860 25.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30093 ATOM 30089 OW SOL 9506 67.170 14.500 34.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30094 ATOM 30090 HW1 SOL 9506 66.990 14.030 35.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30095 ATOM 30091 HW2 SOL 9506 66.390 14.380 33.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30096 ATOM 30092 OW SOL 9507 58.250 9.100 21.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30097 ATOM 30093 HW1 SOL 9507 59.020 9.350 20.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30098 ATOM 30094 HW2 SOL 9507 57.800 8.290 21.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30099 ATOM 30095 OW SOL 9508 71.680 8.490 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30100 ATOM 30096 HW1 SOL 9508 70.940 8.020 28.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30101 ATOM 30097 HW2 SOL 9508 71.890 8.010 30.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30102 ATOM 30098 OW SOL 9509 61.680 13.970 34.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30103 ATOM 30099 HW1 SOL 9509 61.180 13.400 34.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30104 ATOM 30100 HW2 SOL 9509 62.660 13.870 34.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30105 ATOM 30101 OW SOL 9510 65.240 19.440 20.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30106 ATOM 30102 HW1 SOL 9510 64.860 18.700 21.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30107 ATOM 30103 HW2 SOL 9510 65.670 19.060 19.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30108 ATOM 30104 OW SOL 9511 58.290 2.720 36.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30109 ATOM 30105 HW1 SOL 9511 57.340 2.980 36.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30110 ATOM 30106 HW2 SOL 9511 58.380 1.720 36.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30111 ATOM 30107 OW SOL 9512 59.010 19.060 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30112 ATOM 30108 HW1 SOL 9512 59.550 18.900 22.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30113 ATOM 30109 HW2 SOL 9512 59.120 18.290 20.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30114 ATOM 30110 OW SOL 9513 69.560 3.350 25.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30115 ATOM 30111 HW1 SOL 9513 70.250 4.000 25.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30116 ATOM 30112 HW2 SOL 9513 69.230 3.640 26.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30117 ATOM 30113 OW SOL 9514 56.630 17.620 31.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30118 ATOM 30114 HW1 SOL 9514 57.450 17.050 31.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30119 ATOM 30115 HW2 SOL 9514 55.900 17.150 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30120 ATOM 30116 OW SOL 9515 66.660 15.960 27.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30121 ATOM 30117 HW1 SOL 9515 67.410 15.630 27.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30122 ATOM 30118 HW2 SOL 9515 65.910 16.280 27.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30123 ATOM 30119 OW SOL 9516 59.820 5.320 24.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30124 ATOM 30120 HW1 SOL 9516 60.240 4.770 24.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30125 ATOM 30121 HW2 SOL 9516 58.860 5.500 24.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30126 ATOM 30122 OW SOL 9517 69.080 72.180 35.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30127 ATOM 30123 HW1 SOL 9517 69.120 72.110 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30128 ATOM 30124 HW2 SOL 9517 68.150 72.400 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30129 ATOM 30125 OW SOL 9518 62.240 0.470 16.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30130 ATOM 30126 HW1 SOL 9518 63.220 0.490 17.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30131 ATOM 30127 HW2 SOL 9518 62.100 0.400 15.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30132 ATOM 30128 OW SOL 9519 61.220 0.940 35.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30133 ATOM 30129 HW1 SOL 9519 62.080 0.430 35.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30134 ATOM 30130 HW2 SOL 9519 61.400 1.830 36.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30135 ATOM 30131 OW SOL 9520 64.070 14.570 28.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30136 ATOM 30132 HW1 SOL 9520 63.790 13.870 28.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30137 ATOM 30133 HW2 SOL 9520 64.990 14.880 28.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30138 ATOM 30134 OW SOL 9521 68.030 8.770 34.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30139 ATOM 30135 HW1 SOL 9521 68.380 8.590 35.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30140 ATOM 30136 HW2 SOL 9521 68.730 8.520 34.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30141 ATOM 30137 OW SOL 9522 63.140 13.020 26.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30142 ATOM 30138 HW1 SOL 9522 63.960 13.480 26.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30143 ATOM 30139 HW2 SOL 9522 62.380 13.150 25.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30144 ATOM 30140 OW SOL 9523 66.370 5.090 27.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30145 ATOM 30141 HW1 SOL 9523 65.470 5.160 27.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30146 ATOM 30142 HW2 SOL 9523 66.490 4.170 28.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30147 ATOM 30143 OW SOL 9524 60.920 0.760 20.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30148 ATOM 30144 HW1 SOL 9524 60.420 -0.000 20.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30149 ATOM 30145 HW2 SOL 9524 60.610 1.620 20.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30150 ATOM 30146 OW SOL 9525 69.770 13.020 19.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30151 ATOM 30147 HW1 SOL 9525 70.230 12.270 19.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30152 ATOM 30148 HW2 SOL 9525 69.000 13.340 20.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30153 ATOM 30149 OW SOL 9526 58.500 1.940 17.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30154 ATOM 30150 HW1 SOL 9526 58.350 2.730 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30155 ATOM 30151 HW2 SOL 9526 59.190 2.160 18.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30156 ATOM 30152 OW SOL 9527 65.030 3.360 24.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30157 ATOM 30153 HW1 SOL 9527 64.720 3.750 23.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30158 ATOM 30154 HW2 SOL 9527 65.830 3.870 24.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30159 ATOM 30155 OW SOL 9528 66.440 2.740 34.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30160 ATOM 30156 HW1 SOL 9528 65.610 3.250 34.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30161 ATOM 30157 HW2 SOL 9528 67.230 3.350 34.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30162 ATOM 30158 OW SOL 9529 68.550 14.740 26.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30163 ATOM 30159 HW1 SOL 9529 68.610 13.920 25.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30164 ATOM 30160 HW2 SOL 9529 69.460 15.110 26.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30165 ATOM 30161 OW SOL 9530 60.070 10.440 25.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30166 ATOM 30162 HW1 SOL 9530 59.810 9.560 25.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30167 ATOM 30163 HW2 SOL 9530 59.530 10.610 24.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30168 ATOM 30164 OW SOL 9531 68.730 19.750 25.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30169 ATOM 30165 HW1 SOL 9531 69.470 19.590 25.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30170 ATOM 30166 HW2 SOL 9531 67.870 19.400 25.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30171 ATOM 30167 OW SOL 9532 64.090 7.190 21.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30172 ATOM 30168 HW1 SOL 9532 64.200 7.720 21.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30173 ATOM 30169 HW2 SOL 9532 65.000 6.930 22.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30174 ATOM 30170 OW SOL 9533 57.520 6.320 30.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30175 ATOM 30171 HW1 SOL 9533 58.160 5.640 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30176 ATOM 30172 HW2 SOL 9533 57.450 7.090 30.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30177 ATOM 30173 OW SOL 9534 61.640 0.610 28.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30178 ATOM 30174 HW1 SOL 9534 61.200 -0.160 28.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30179 ATOM 30175 HW2 SOL 9534 61.030 1.010 29.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30180 ATOM 30176 OW SOL 9535 63.960 5.330 26.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30181 ATOM 30177 HW1 SOL 9535 63.470 5.930 25.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30182 ATOM 30178 HW2 SOL 9535 63.840 4.380 26.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30183 ATOM 30179 OW SOL 9536 67.050 70.640 24.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30184 ATOM 30180 HW1 SOL 9536 67.600 71.470 24.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30185 ATOM 30181 HW2 SOL 9536 66.100 70.890 24.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30186 ATOM 30182 OW SOL 9537 68.990 11.930 25.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30187 ATOM 30183 HW1 SOL 9537 69.660 11.910 25.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30188 ATOM 30184 HW2 SOL 9537 68.900 11.010 26.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30189 ATOM 30185 OW SOL 9538 69.790 6.020 30.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30190 ATOM 30186 HW1 SOL 9538 68.980 5.590 31.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30191 ATOM 30187 HW2 SOL 9538 70.600 5.490 31.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30192 ATOM 30188 OW SOL 9539 2.270 8.340 22.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30193 ATOM 30189 HW1 SOL 9539 2.480 8.160 21.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30194 ATOM 30190 HW2 SOL 9539 2.270 7.480 23.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30195 ATOM 30191 OW SOL 9540 59.300 17.050 19.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30196 ATOM 30192 HW1 SOL 9540 59.170 16.090 19.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30197 ATOM 30193 HW2 SOL 9540 58.920 17.230 18.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30198 ATOM 30194 OW SOL 9541 68.230 6.870 21.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30199 ATOM 30195 HW1 SOL 9541 67.820 7.440 22.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30200 ATOM 30196 HW2 SOL 9541 68.740 6.120 21.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30201 ATOM 30197 OW SOL 9542 60.330 3.000 19.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30202 ATOM 30198 HW1 SOL 9542 61.060 3.300 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30203 ATOM 30199 HW2 SOL 9542 59.890 3.810 19.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30204 ATOM 30200 OW SOL 9543 66.430 12.760 31.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30205 ATOM 30201 HW1 SOL 9543 66.300 12.220 30.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30206 ATOM 30202 HW2 SOL 9543 65.690 13.440 31.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30207 ATOM 30203 OW SOL 9544 71.670 16.370 34.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30208 ATOM 30204 HW1 SOL 9544 71.490 17.330 34.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30209 ATOM 30205 HW2 SOL 9544 71.730 16.290 35.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30210 ATOM 30206 OW SOL 9545 68.040 9.610 31.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30211 ATOM 30207 HW1 SOL 9545 68.750 8.970 31.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30212 ATOM 30208 HW2 SOL 9545 68.430 10.270 30.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30213 ATOM 30209 OW SOL 9546 69.180 11.630 29.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30214 ATOM 30210 HW1 SOL 9546 69.900 12.280 29.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30215 ATOM 30211 HW2 SOL 9546 68.890 11.150 28.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30216 ATOM 30212 OW SOL 9547 63.330 1.500 30.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30217 ATOM 30213 HW1 SOL 9547 62.970 0.770 30.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30218 ATOM 30214 HW2 SOL 9547 64.050 1.140 31.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30219 ATOM 30215 OW SOL 9548 65.060 10.730 36.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30220 ATOM 30216 HW1 SOL 9548 64.190 11.200 36.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30221 ATOM 30217 HW2 SOL 9548 65.090 9.900 35.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30222 ATOM 30218 OW SOL 9549 61.820 11.250 21.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30223 ATOM 30219 HW1 SOL 9549 62.130 10.540 22.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30224 ATOM 30220 HW2 SOL 9549 62.420 12.050 21.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30225 ATOM 30221 OW SOL 9550 60.300 7.340 31.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30226 ATOM 30222 HW1 SOL 9550 60.780 7.630 32.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30227 ATOM 30223 HW2 SOL 9550 59.980 6.400 31.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30228 ATOM 30224 OW SOL 9551 67.410 4.910 31.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30229 ATOM 30225 HW1 SOL 9551 66.740 5.650 31.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30230 ATOM 30226 HW2 SOL 9551 67.770 4.940 32.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30231 ATOM 30227 OW SOL 9552 55.790 14.600 32.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30232 ATOM 30228 HW1 SOL 9552 55.290 15.360 31.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30233 ATOM 30229 HW2 SOL 9552 56.770 14.780 32.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30234 ATOM 30230 OW SOL 9553 59.090 11.190 22.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30235 ATOM 30231 HW1 SOL 9553 59.960 11.470 22.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30236 ATOM 30232 HW2 SOL 9553 58.790 10.330 22.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30237 ATOM 30233 OW SOL 9554 60.980 5.170 27.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30238 ATOM 30234 HW1 SOL 9554 60.670 5.260 26.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30239 ATOM 30235 HW2 SOL 9554 61.320 6.050 27.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30240 ATOM 30236 OW SOL 9555 67.910 16.310 22.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30241 ATOM 30237 HW1 SOL 9555 67.890 17.240 22.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30242 ATOM 30238 HW2 SOL 9555 68.790 16.160 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30243 ATOM 30239 OW SOL 9556 68.610 15.020 29.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30244 ATOM 30240 HW1 SOL 9556 68.430 14.620 30.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30245 ATOM 30241 HW2 SOL 9556 67.770 15.000 29.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30246 ATOM 30242 OW SOL 9557 69.810 5.810 23.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30247 ATOM 30243 HW1 SOL 9557 69.660 6.770 23.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30248 ATOM 30244 HW2 SOL 9557 70.690 5.510 23.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30249 ATOM 30245 OW SOL 9558 58.550 15.280 31.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30250 ATOM 30246 HW1 SOL 9558 58.810 14.930 30.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30251 ATOM 30247 HW2 SOL 9558 59.380 15.420 32.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30252 ATOM 30248 OW SOL 9559 59.610 6.290 34.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30253 ATOM 30249 HW1 SOL 9559 60.470 6.790 34.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30254 ATOM 30250 HW2 SOL 9559 59.790 5.300 34.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30255 ATOM 30251 OW SOL 9560 70.820 9.440 35.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30256 ATOM 30252 HW1 SOL 9560 70.010 10.000 35.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30257 ATOM 30253 HW2 SOL 9560 71.390 9.400 34.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30258 ATOM 30254 OW SOL 9561 63.690 72.410 34.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30259 ATOM 30255 HW1 SOL 9561 64.160 72.230 34.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30260 ATOM 30256 HW2 SOL 9561 64.320 72.880 35.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30261 ATOM 30257 OW SOL 9562 60.520 4.080 37.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30262 ATOM 30258 HW1 SOL 9562 59.640 3.680 37.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30263 ATOM 30259 HW2 SOL 9562 60.390 4.740 38.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30264 ATOM 30260 OW SOL 9563 60.810 8.690 29.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30265 ATOM 30261 HW1 SOL 9563 61.430 9.430 29.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30266 ATOM 30262 HW2 SOL 9563 60.630 8.130 29.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30267 ATOM 30263 OW SOL 9564 69.230 7.380 28.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30268 ATOM 30264 HW1 SOL 9564 68.250 7.570 28.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30269 ATOM 30265 HW2 SOL 9564 69.540 6.810 29.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30270 ATOM 30266 OW SOL 9565 66.480 7.230 23.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30271 ATOM 30267 HW1 SOL 9565 66.710 6.390 23.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30272 ATOM 30268 HW2 SOL 9565 66.330 7.980 24.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30273 ATOM 30269 OW SOL 9566 59.430 1.400 30.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30274 ATOM 30270 HW1 SOL 9566 59.770 1.420 31.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30275 ATOM 30271 HW2 SOL 9566 58.490 1.760 30.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30276 ATOM 30272 OW SOL 9567 56.360 11.900 31.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30277 ATOM 30273 HW1 SOL 9567 57.100 11.730 32.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30278 ATOM 30274 HW2 SOL 9567 56.070 12.860 31.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30279 ATOM 30275 OW SOL 9568 63.220 6.220 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30280 ATOM 30276 HW1 SOL 9568 63.660 6.490 28.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30281 ATOM 30277 HW2 SOL 9568 63.880 6.270 29.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30282 ATOM 30278 OW SOL 9569 58.930 1.040 22.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30283 ATOM 30279 HW1 SOL 9569 59.190 0.790 21.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30284 ATOM 30280 HW2 SOL 9569 58.710 2.010 22.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30285 ATOM 30281 OW SOL 9570 71.280 4.220 21.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30286 ATOM 30282 HW1 SOL 9570 71.020 3.270 21.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30287 ATOM 30283 HW2 SOL 9570 71.050 4.790 22.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30288 ATOM 30284 OW SOL 9571 66.480 7.390 28.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30289 ATOM 30285 HW1 SOL 9571 66.120 7.060 29.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30290 ATOM 30286 HW2 SOL 9571 66.740 6.610 28.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30291 ATOM 30287 OW SOL 9572 64.100 14.870 35.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30292 ATOM 30288 HW1 SOL 9572 64.450 15.580 35.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30293 ATOM 30289 HW2 SOL 9572 64.870 14.420 36.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30294 ATOM 30290 OW SOL 9573 58.770 8.250 36.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30295 ATOM 30291 HW1 SOL 9573 59.570 8.780 37.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30296 ATOM 30292 HW2 SOL 9573 59.060 7.590 36.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30297 ATOM 30293 OW SOL 9574 66.080 3.530 20.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30298 ATOM 30294 HW1 SOL 9574 66.500 2.690 20.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30299 ATOM 30295 HW2 SOL 9574 66.790 4.210 20.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30300 ATOM 30296 OW SOL 9575 68.250 9.320 19.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30301 ATOM 30297 HW1 SOL 9575 69.000 8.790 19.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30302 ATOM 30298 HW2 SOL 9575 68.470 9.580 18.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30303 ATOM 30299 OW SOL 9576 65.420 14.420 25.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30304 ATOM 30300 HW1 SOL 9576 65.770 13.560 25.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30305 ATOM 30301 HW2 SOL 9576 65.830 14.580 24.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30306 ATOM 30302 OW SOL 9577 59.410 8.220 26.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30307 ATOM 30303 HW1 SOL 9577 60.050 8.250 27.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30308 ATOM 30304 HW2 SOL 9577 58.480 8.090 26.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30309 ATOM 30305 OW SOL 9578 58.700 4.150 28.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30310 ATOM 30306 HW1 SOL 9578 59.090 4.160 29.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30311 ATOM 30307 HW2 SOL 9578 59.270 4.700 27.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30312 ATOM 30308 OW SOL 9579 66.210 0.960 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30313 ATOM 30309 HW1 SOL 9579 66.600 1.570 36.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30314 ATOM 30310 HW2 SOL 9579 66.250 1.400 35.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30315 ATOM 30311 OW SOL 9580 65.750 0.550 32.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30316 ATOM 30312 HW1 SOL 9580 66.690 0.300 32.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30317 ATOM 30313 HW2 SOL 9580 65.750 1.460 32.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30318 ATOM 30314 OW SOL 9581 55.570 11.940 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30319 ATOM 30315 HW1 SOL 9581 55.360 12.670 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30320 ATOM 30316 HW2 SOL 9581 55.290 11.060 21.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30321 ATOM 30317 OW SOL 9582 56.240 18.350 27.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30322 ATOM 30318 HW1 SOL 9582 55.610 17.580 27.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30323 ATOM 30319 HW2 SOL 9582 57.180 18.000 27.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30324 ATOM 30320 OW SOL 9583 60.320 15.660 26.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30325 ATOM 30321 HW1 SOL 9583 61.090 15.900 27.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30326 ATOM 30322 HW2 SOL 9583 60.570 14.850 26.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30327 ATOM 30323 OW SOL 9584 65.290 6.860 31.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30328 ATOM 30324 HW1 SOL 9584 65.190 7.840 31.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30329 ATOM 30325 HW2 SOL 9584 64.630 6.340 31.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30330 ATOM 30326 OW SOL 9585 55.570 4.260 30.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30331 ATOM 30327 HW1 SOL 9585 55.500 3.690 29.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30332 ATOM 30328 HW2 SOL 9585 56.300 4.930 29.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30333 ATOM 30329 OW SOL 9586 56.580 6.170 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30334 ATOM 30330 HW1 SOL 9586 57.570 6.120 34.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30335 ATOM 30331 HW2 SOL 9586 56.220 6.750 34.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30336 ATOM 30332 OW SOL 9587 68.660 11.230 36.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30337 ATOM 30333 HW1 SOL 9587 68.300 11.950 36.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30338 ATOM 30334 HW2 SOL 9587 68.240 11.300 35.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30339 ATOM 30335 OW SOL 9588 63.160 9.360 23.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30340 ATOM 30336 HW1 SOL 9588 62.860 9.340 24.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30341 ATOM 30337 HW2 SOL 9588 63.340 8.430 22.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30342 ATOM 30338 OW SOL 9589 57.530 14.520 36.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30343 ATOM 30339 HW1 SOL 9589 57.170 14.900 37.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30344 ATOM 30340 HW2 SOL 9589 58.010 13.660 37.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30345 ATOM 30341 OW SOL 9590 62.150 4.210 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30346 ATOM 30342 HW1 SOL 9590 62.660 3.360 30.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30347 ATOM 30343 HW2 SOL 9590 62.380 4.870 30.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30348 ATOM 30344 OW SOL 9591 64.290 18.150 32.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30349 ATOM 30345 HW1 SOL 9591 64.830 17.820 31.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30350 ATOM 30346 HW2 SOL 9591 63.800 18.980 31.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30351 ATOM 30347 OW SOL 9592 59.540 5.170 20.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30352 ATOM 30348 HW1 SOL 9592 60.270 5.860 20.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30353 ATOM 30349 HW2 SOL 9592 58.660 5.610 20.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30354 ATOM 30350 OW SOL 9593 58.390 10.660 33.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30355 ATOM 30351 HW1 SOL 9593 58.130 10.760 34.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30356 ATOM 30352 HW2 SOL 9593 57.990 9.820 33.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30357 ATOM 30353 OW SOL 9594 70.930 11.670 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30358 ATOM 30354 HW1 SOL 9594 70.600 11.470 31.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30359 ATOM 30355 HW2 SOL 9594 70.210 12.100 33.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30360 ATOM 30356 OW SOL 9595 68.250 10.200 21.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30361 ATOM 30357 HW1 SOL 9595 67.320 10.270 22.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30362 ATOM 30358 HW2 SOL 9595 68.230 10.320 20.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30363 ATOM 30359 OW SOL 9596 71.320 13.420 29.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30364 ATOM 30360 HW1 SOL 9596 72.120 12.830 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30365 ATOM 30361 HW2 SOL 9596 71.450 13.990 30.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30366 ATOM 30362 OW SOL 9597 70.500 17.350 30.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30367 ATOM 30363 HW1 SOL 9597 70.450 18.080 29.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30368 ATOM 30364 HW2 SOL 9597 70.010 16.550 29.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30369 ATOM 30365 OW SOL 9598 57.040 10.570 29.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30370 ATOM 30366 HW1 SOL 9598 56.900 11.250 30.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30371 ATOM 30367 HW2 SOL 9598 56.150 10.320 29.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30372 ATOM 30368 OW SOL 9599 65.290 16.830 34.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30373 ATOM 30369 HW1 SOL 9599 66.120 17.240 34.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30374 ATOM 30370 HW2 SOL 9599 64.830 17.500 33.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30375 ATOM 30371 OW SOL 9600 70.580 16.860 22.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30376 ATOM 30372 HW1 SOL 9600 70.800 17.100 22.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30377 ATOM 30373 HW2 SOL 9600 71.290 16.260 23.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30378 ATOM 30374 OW SOL 9601 56.690 15.680 39.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30379 ATOM 30375 HW1 SOL 9601 55.860 15.270 39.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30380 ATOM 30376 HW2 SOL 9601 57.280 15.990 39.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30381 ATOM 30377 OW SOL 9602 69.540 8.650 24.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30382 ATOM 30378 HW1 SOL 9602 70.520 8.740 24.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30383 ATOM 30379 HW2 SOL 9602 69.310 9.210 23.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30384 ATOM 30380 OW SOL 9603 63.760 12.060 31.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30385 ATOM 30381 HW1 SOL 9603 64.120 12.740 32.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30386 ATOM 30382 HW2 SOL 9603 62.810 12.290 31.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30387 ATOM 30383 OW SOL 9604 61.870 17.780 20.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30388 ATOM 30384 HW1 SOL 9604 62.380 17.720 19.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30389 ATOM 30385 HW2 SOL 9604 60.950 17.420 19.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30390 ATOM 30386 OW SOL 9605 53.470 71.560 23.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30391 ATOM 30387 HW1 SOL 9605 53.580 70.790 22.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30392 ATOM 30388 HW2 SOL 9605 53.430 71.230 24.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30393 ATOM 30389 OW SOL 9606 67.510 15.920 18.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30394 ATOM 30390 HW1 SOL 9606 67.540 15.280 18.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30395 ATOM 30391 HW2 SOL 9606 67.080 15.490 17.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30396 ATOM 30392 OW SOL 9607 65.150 9.470 31.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30397 ATOM 30393 HW1 SOL 9607 66.110 9.660 31.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30398 ATOM 30394 HW2 SOL 9607 64.630 10.320 31.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30399 ATOM 30395 OW SOL 9608 65.840 11.880 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30400 ATOM 30396 HW1 SOL 9608 65.880 11.360 20.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30401 ATOM 30397 HW2 SOL 9608 65.620 11.250 21.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30402 ATOM 30398 OW SOL 9609 70.460 17.520 18.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30403 ATOM 30399 HW1 SOL 9609 69.690 17.000 17.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30404 ATOM 30400 HW2 SOL 9609 71.010 17.880 17.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30405 ATOM 30401 OW SOL 9610 60.110 12.620 33.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30406 ATOM 30402 HW1 SOL 9610 60.160 12.610 32.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30407 ATOM 30403 HW2 SOL 9610 59.480 11.910 33.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30408 ATOM 30404 OW SOL 9611 66.390 11.960 26.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30409 ATOM 30405 HW1 SOL 9611 66.320 11.510 27.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30410 ATOM 30406 HW2 SOL 9611 67.350 12.010 26.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30411 ATOM 30407 OW SOL 9612 67.200 0.560 27.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30412 ATOM 30408 HW1 SOL 9612 67.430 0.280 26.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30413 ATOM 30409 HW2 SOL 9612 67.150 -0.250 28.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30414 ATOM 30410 OW SOL 9613 60.750 14.060 22.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30415 ATOM 30411 HW1 SOL 9613 61.590 14.110 21.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30416 ATOM 30412 HW2 SOL 9613 59.990 13.830 21.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30417 ATOM 30413 OW SOL 9614 58.570 14.350 20.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30418 ATOM 30414 HW1 SOL 9614 58.440 13.420 20.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30419 ATOM 30415 HW2 SOL 9614 57.790 14.600 20.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30420 ATOM 30416 OW SOL 9615 57.440 10.460 36.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30421 ATOM 30417 HW1 SOL 9615 56.440 10.520 36.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30422 ATOM 30418 HW2 SOL 9615 57.720 9.500 36.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30423 ATOM 30419 OW SOL 9616 60.770 1.880 33.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30424 ATOM 30420 HW1 SOL 9616 61.600 1.640 32.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30425 ATOM 30421 HW2 SOL 9616 60.850 1.560 34.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30426 ATOM 30422 OW SOL 9617 53.390 4.650 18.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30427 ATOM 30423 HW1 SOL 9617 52.620 5.270 18.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30428 ATOM 30424 HW2 SOL 9617 53.610 4.570 17.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30429 ATOM 30425 OW SOL 9618 70.060 8.170 32.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30430 ATOM 30426 HW1 SOL 9618 70.940 8.130 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30431 ATOM 30427 HW2 SOL 9618 69.990 7.400 31.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30432 ATOM 30428 OW SOL 9619 55.290 2.570 20.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30433 ATOM 30429 HW1 SOL 9619 54.480 3.030 19.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30434 ATOM 30430 HW2 SOL 9619 55.930 2.400 19.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30435 ATOM 30431 OW SOL 9620 67.460 14.390 20.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30436 ATOM 30432 HW1 SOL 9620 66.660 13.830 20.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30437 ATOM 30433 HW2 SOL 9620 67.800 14.840 21.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30438 ATOM 30434 OW SOL 9621 61.860 7.670 34.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30439 ATOM 30435 HW1 SOL 9621 62.540 7.150 33.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30440 ATOM 30436 HW2 SOL 9621 62.310 8.400 34.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30441 ATOM 30437 OW SOL 9622 70.070 18.840 27.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30442 ATOM 30438 HW1 SOL 9622 69.370 19.170 27.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30443 ATOM 30439 HW2 SOL 9622 70.660 18.180 27.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30444 ATOM 30440 OW SOL 9623 64.380 4.520 35.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30445 ATOM 30441 HW1 SOL 9623 64.860 5.320 35.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30446 ATOM 30442 HW2 SOL 9623 63.800 4.120 35.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30447 ATOM 30443 OW SOL 9624 68.090 13.460 38.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30448 ATOM 30444 HW1 SOL 9624 69.080 13.560 38.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30449 ATOM 30445 HW2 SOL 9624 67.820 13.510 39.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30450 ATOM 30446 OW SOL 9625 59.200 16.710 35.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30451 ATOM 30447 HW1 SOL 9625 59.910 16.400 36.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30452 ATOM 30448 HW2 SOL 9625 58.400 16.120 36.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30453 ATOM 30449 OW SOL 9626 0.360 11.060 28.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30454 ATOM 30450 HW1 SOL 9626 -0.020 10.190 29.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30455 ATOM 30451 HW2 SOL 9626 0.220 11.120 27.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30456 ATOM 30452 OW SOL 9627 67.200 5.120 24.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30457 ATOM 30453 HW1 SOL 9627 68.090 4.990 24.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30458 ATOM 30454 HW2 SOL 9627 67.330 5.210 25.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30459 ATOM 30455 OW SOL 9628 62.170 6.940 25.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30460 ATOM 30456 HW1 SOL 9628 62.070 7.920 25.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30461 ATOM 30457 HW2 SOL 9628 61.280 6.550 24.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30462 ATOM 30458 OW SOL 9629 0.090 9.960 33.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30463 ATOM 30459 HW1 SOL 9629 0.950 10.350 34.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30464 ATOM 30460 HW2 SOL 9629 -0.510 10.690 33.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30465 ATOM 30461 OW SOL 9630 62.520 12.690 17.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30466 ATOM 30462 HW1 SOL 9630 62.590 13.050 18.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30467 ATOM 30463 HW2 SOL 9630 61.920 13.280 17.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30468 ATOM 30464 OW SOL 9631 62.190 16.550 28.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30469 ATOM 30465 HW1 SOL 9631 62.520 17.490 28.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30470 ATOM 30466 HW2 SOL 9631 62.940 15.980 29.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30471 ATOM 30467 OW SOL 9632 65.860 10.550 28.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30472 ATOM 30468 HW1 SOL 9632 65.880 9.580 28.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30473 ATOM 30469 HW2 SOL 9632 64.940 10.910 28.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30474 ATOM 30470 OW SOL 9633 65.770 10.110 18.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30475 ATOM 30471 HW1 SOL 9633 65.780 10.700 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30476 ATOM 30472 HW2 SOL 9633 66.670 9.720 19.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30477 ATOM 30473 OW SOL 9634 2.130 16.300 27.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30478 ATOM 30474 HW1 SOL 9634 2.050 15.410 27.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30479 ATOM 30475 HW2 SOL 9634 3.090 16.490 27.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30480 ATOM 30476 OW SOL 9635 58.320 12.310 38.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30481 ATOM 30477 HW1 SOL 9635 57.980 11.540 37.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30482 ATOM 30478 HW2 SOL 9635 57.870 12.310 38.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30483 ATOM 30479 OW SOL 9636 57.500 12.780 24.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30484 ATOM 30480 HW1 SOL 9636 57.900 12.470 25.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30485 ATOM 30481 HW2 SOL 9636 58.050 12.440 24.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30486 ATOM 30482 OW SOL 9637 64.650 14.780 32.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30487 ATOM 30483 HW1 SOL 9637 63.900 15.110 31.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30488 ATOM 30484 HW2 SOL 9637 64.960 15.500 32.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30489 ATOM 30485 OW SOL 9638 71.940 2.420 29.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30490 ATOM 30486 HW1 SOL 9638 71.150 2.680 29.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30491 ATOM 30487 HW2 SOL 9638 72.030 1.430 29.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30492 ATOM 30488 OW SOL 9639 60.630 3.850 22.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30493 ATOM 30489 HW1 SOL 9639 61.550 3.710 22.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30494 ATOM 30490 HW2 SOL 9639 60.030 4.180 22.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30495 ATOM 30491 OW SOL 9640 59.530 4.670 31.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30496 ATOM 30492 HW1 SOL 9640 59.090 4.390 32.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30497 ATOM 30493 HW2 SOL 9640 60.410 4.200 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30498 ATOM 30494 OW SOL 9641 64.820 16.950 25.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30499 ATOM 30495 HW1 SOL 9641 64.050 17.360 25.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30500 ATOM 30496 HW2 SOL 9641 64.770 15.960 25.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30501 ATOM 30497 OW SOL 9642 68.780 0.540 32.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30502 ATOM 30498 HW1 SOL 9642 69.060 -0.190 31.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30503 ATOM 30499 HW2 SOL 9642 68.260 1.230 31.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30504 ATOM 30500 OW SOL 9643 64.760 71.310 30.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30505 ATOM 30501 HW1 SOL 9643 64.240 70.650 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30506 ATOM 30502 HW2 SOL 9643 65.690 71.390 29.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30507 ATOM 30503 OW SOL 9644 63.580 13.440 21.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30508 ATOM 30504 HW1 SOL 9644 64.240 12.720 21.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30509 ATOM 30505 HW2 SOL 9644 64.070 14.250 21.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30510 ATOM 30506 OW SOL 9645 62.330 15.740 31.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30511 ATOM 30507 HW1 SOL 9645 61.960 16.150 31.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30512 ATOM 30508 HW2 SOL 9645 62.030 16.280 30.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30513 ATOM 30509 OW SOL 9646 67.030 0.850 20.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30514 ATOM 30510 HW1 SOL 9646 67.930 0.700 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30515 ATOM 30511 HW2 SOL 9646 66.650 -0.030 20.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30516 ATOM 30512 OW SOL 9647 66.000 8.780 25.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30517 ATOM 30513 HW1 SOL 9647 66.730 9.060 25.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30518 ATOM 30514 HW2 SOL 9647 65.200 8.490 25.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30519 ATOM 30515 OW SOL 9648 69.500 2.150 28.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30520 ATOM 30516 HW1 SOL 9648 69.690 1.410 27.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30521 ATOM 30517 HW2 SOL 9648 68.570 2.040 28.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30522 ATOM 30518 OW SOL 9649 56.590 8.790 23.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30523 ATOM 30519 HW1 SOL 9649 57.080 9.080 22.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30524 ATOM 30520 HW2 SOL 9649 56.700 7.800 23.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30525 ATOM 30521 OW SOL 9650 63.310 17.140 22.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30526 ATOM 30522 HW1 SOL 9650 62.850 17.380 21.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30527 ATOM 30523 HW2 SOL 9650 63.040 17.770 22.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30528 ATOM 30524 OW SOL 9651 57.280 6.730 38.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30529 ATOM 30525 HW1 SOL 9651 56.310 6.620 38.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30530 ATOM 30526 HW2 SOL 9651 57.750 7.210 37.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30531 ATOM 30527 OW SOL 9652 57.960 3.130 46.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30532 ATOM 30528 HW1 SOL 9652 57.820 3.060 47.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30533 ATOM 30529 HW2 SOL 9652 58.160 2.220 46.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30534 ATOM 30530 OW SOL 9653 53.520 3.220 42.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30535 ATOM 30531 HW1 SOL 9653 53.740 3.050 43.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30536 ATOM 30532 HW2 SOL 9653 54.110 2.670 41.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30537 ATOM 30533 OW SOL 9654 59.870 14.000 49.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30538 ATOM 30534 HW1 SOL 9654 59.760 13.150 49.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30539 ATOM 30535 HW2 SOL 9654 60.780 14.380 49.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30540 ATOM 30536 OW SOL 9655 69.440 15.960 45.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30541 ATOM 30537 HW1 SOL 9655 68.870 15.750 46.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30542 ATOM 30538 HW2 SOL 9655 69.110 15.450 44.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30543 ATOM 30539 OW SOL 9656 65.730 6.550 43.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30544 ATOM 30540 HW1 SOL 9656 66.140 7.440 43.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30545 ATOM 30541 HW2 SOL 9656 66.190 5.840 44.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30546 ATOM 30542 OW SOL 9657 1.290 4.380 38.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30547 ATOM 30543 HW1 SOL 9657 1.850 4.220 39.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30548 ATOM 30544 HW2 SOL 9657 0.590 3.670 38.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30549 ATOM 30545 OW SOL 9658 61.960 12.230 46.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30550 ATOM 30546 HW1 SOL 9658 61.530 11.600 45.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30551 ATOM 30547 HW2 SOL 9658 61.690 11.990 47.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30552 ATOM 30548 OW SOL 9659 63.880 5.820 56.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30553 ATOM 30549 HW1 SOL 9659 64.160 6.650 57.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30554 ATOM 30550 HW2 SOL 9659 62.900 5.860 56.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30555 ATOM 30551 OW SOL 9660 62.560 8.390 43.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30556 ATOM 30552 HW1 SOL 9660 62.570 7.770 43.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30557 ATOM 30553 HW2 SOL 9660 63.180 9.160 43.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30558 ATOM 30554 OW SOL 9661 62.580 12.010 55.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30559 ATOM 30555 HW1 SOL 9661 63.050 12.280 56.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30560 ATOM 30556 HW2 SOL 9661 61.860 12.660 55.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30561 ATOM 30557 OW SOL 9662 59.690 11.440 48.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30562 ATOM 30558 HW1 SOL 9662 60.000 10.490 48.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30563 ATOM 30559 HW2 SOL 9662 58.950 11.550 47.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30564 ATOM 30560 OW SOL 9663 68.180 14.510 52.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30565 ATOM 30561 HW1 SOL 9663 69.140 14.790 52.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30566 ATOM 30562 HW2 SOL 9663 68.080 13.560 52.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30567 ATOM 30563 OW SOL 9664 61.030 5.050 52.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30568 ATOM 30564 HW1 SOL 9664 61.060 4.060 52.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30569 ATOM 30565 HW2 SOL 9664 60.620 5.240 53.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30570 ATOM 30566 OW SOL 9665 54.940 16.050 41.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30571 ATOM 30567 HW1 SOL 9665 55.830 15.780 42.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30572 ATOM 30568 HW2 SOL 9665 54.680 15.400 41.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30573 ATOM 30569 OW SOL 9666 66.140 14.650 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30574 ATOM 30570 HW1 SOL 9666 66.840 14.820 53.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30575 ATOM 30571 HW2 SOL 9666 65.840 13.690 54.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30576 ATOM 30572 OW SOL 9667 57.620 14.390 42.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30577 ATOM 30573 HW1 SOL 9667 57.930 15.140 42.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30578 ATOM 30574 HW2 SOL 9667 58.070 14.450 43.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30579 ATOM 30575 OW SOL 9668 58.100 10.430 45.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30580 ATOM 30576 HW1 SOL 9668 57.920 9.450 45.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30581 ATOM 30577 HW2 SOL 9668 57.600 10.960 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30582 ATOM 30578 OW SOL 9669 59.640 17.080 48.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30583 ATOM 30579 HW1 SOL 9669 58.840 16.750 49.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30584 ATOM 30580 HW2 SOL 9669 60.150 17.720 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30585 ATOM 30581 OW SOL 9670 61.150 9.680 37.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30586 ATOM 30582 HW1 SOL 9670 61.490 10.370 36.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30587 ATOM 30583 HW2 SOL 9670 61.930 9.190 38.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30588 ATOM 30584 OW SOL 9671 70.900 71.830 50.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30589 ATOM 30585 HW1 SOL 9671 70.210 72.390 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30590 ATOM 30586 HW2 SOL 9671 70.470 71.250 51.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30591 ATOM 30587 OW SOL 9672 56.460 5.610 43.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30592 ATOM 30588 HW1 SOL 9672 55.830 6.280 43.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30593 ATOM 30589 HW2 SOL 9672 56.330 5.590 44.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30594 ATOM 30590 OW SOL 9673 54.390 14.110 39.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30595 ATOM 30591 HW1 SOL 9673 53.520 14.060 40.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30596 ATOM 30592 HW2 SOL 9673 54.290 13.630 38.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30597 ATOM 30593 OW SOL 9674 72.540 9.240 42.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30598 ATOM 30594 HW1 SOL 9674 72.200 9.320 42.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30599 ATOM 30595 HW2 SOL 9674 72.250 8.370 41.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30600 ATOM 30596 OW SOL 9675 55.690 8.480 51.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30601 ATOM 30597 HW1 SOL 9675 56.480 8.830 50.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30602 ATOM 30598 HW2 SOL 9675 55.030 9.210 51.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30603 ATOM 30599 OW SOL 9676 60.730 13.190 41.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30604 ATOM 30600 HW1 SOL 9676 59.970 13.180 42.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30605 ATOM 30601 HW2 SOL 9676 60.410 12.940 40.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30606 ATOM 30602 OW SOL 9677 67.770 12.720 49.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30607 ATOM 30603 HW1 SOL 9677 67.100 12.280 49.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30608 ATOM 30604 HW2 SOL 9677 67.370 13.570 50.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30609 ATOM 30605 OW SOL 9678 63.410 0.250 41.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30610 ATOM 30606 HW1 SOL 9678 64.110 0.640 40.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30611 ATOM 30607 HW2 SOL 9678 62.570 0.110 40.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30612 ATOM 30608 OW SOL 9679 57.710 9.230 49.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30613 ATOM 30609 HW1 SOL 9679 58.590 8.950 49.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30614 ATOM 30610 HW2 SOL 9679 57.300 9.930 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30615 ATOM 30611 OW SOL 9680 71.260 12.310 41.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30616 ATOM 30612 HW1 SOL 9680 71.120 11.380 41.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30617 ATOM 30613 HW2 SOL 9680 71.040 12.350 42.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30618 ATOM 30614 OW SOL 9681 65.680 18.160 53.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30619 ATOM 30615 HW1 SOL 9681 66.450 18.550 52.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30620 ATOM 30616 HW2 SOL 9681 65.000 17.810 52.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30621 ATOM 30617 OW SOL 9682 59.910 4.980 54.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30622 ATOM 30618 HW1 SOL 9682 59.840 4.910 55.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30623 ATOM 30619 HW2 SOL 9682 59.020 4.770 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30624 ATOM 30620 OW SOL 9683 67.550 14.980 47.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30625 ATOM 30621 HW1 SOL 9683 67.550 15.350 48.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30626 ATOM 30622 HW2 SOL 9683 67.840 14.020 47.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30627 ATOM 30623 OW SOL 9684 1.050 13.150 40.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30628 ATOM 30624 HW1 SOL 9684 0.300 12.710 41.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30629 ATOM 30625 HW2 SOL 9684 1.530 12.450 40.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30630 ATOM 30626 OW SOL 9685 61.700 7.440 40.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30631 ATOM 30627 HW1 SOL 9685 60.700 7.520 40.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30632 ATOM 30628 HW2 SOL 9685 62.030 7.780 41.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30633 ATOM 30629 OW SOL 9686 67.830 5.080 47.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30634 ATOM 30630 HW1 SOL 9686 67.930 4.410 48.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30635 ATOM 30631 HW2 SOL 9686 66.930 5.510 47.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30636 ATOM 30632 OW SOL 9687 69.590 17.990 38.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30637 ATOM 30633 HW1 SOL 9687 69.750 17.300 38.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30638 ATOM 30634 HW2 SOL 9687 69.320 17.540 37.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30639 ATOM 30635 OW SOL 9688 63.760 5.490 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30640 ATOM 30636 HW1 SOL 9688 64.050 4.720 52.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30641 ATOM 30637 HW2 SOL 9688 62.780 5.450 52.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30642 ATOM 30638 OW SOL 9689 69.760 4.330 54.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30643 ATOM 30639 HW1 SOL 9689 69.970 5.210 53.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30644 ATOM 30640 HW2 SOL 9689 69.980 4.380 55.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30645 ATOM 30641 OW SOL 9690 63.530 9.850 52.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30646 ATOM 30642 HW1 SOL 9690 63.160 8.970 53.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30647 ATOM 30643 HW2 SOL 9690 62.820 10.360 52.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30648 ATOM 30644 OW SOL 9691 64.890 2.280 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30649 ATOM 30645 HW1 SOL 9691 65.250 1.730 48.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30650 ATOM 30646 HW2 SOL 9691 64.040 2.720 49.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30651 ATOM 30647 OW SOL 9692 66.180 6.290 41.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30652 ATOM 30648 HW1 SOL 9692 65.850 6.490 41.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30653 ATOM 30649 HW2 SOL 9692 65.480 5.760 40.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30654 ATOM 30650 OW SOL 9693 55.580 8.630 44.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30655 ATOM 30651 HW1 SOL 9693 56.340 8.190 45.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30656 ATOM 30652 HW2 SOL 9693 55.130 9.280 45.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30657 ATOM 30653 OW SOL 9694 55.700 17.800 53.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30658 ATOM 30654 HW1 SOL 9694 55.670 17.860 54.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30659 ATOM 30655 HW2 SOL 9694 54.890 18.230 53.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30660 ATOM 30656 OW SOL 9695 64.680 4.410 38.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30661 ATOM 30657 HW1 SOL 9695 65.570 4.280 38.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30662 ATOM 30658 HW2 SOL 9695 63.950 4.180 38.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30663 ATOM 30659 OW SOL 9696 70.900 6.540 53.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30664 ATOM 30660 HW1 SOL 9696 70.570 7.270 52.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30665 ATOM 30661 HW2 SOL 9696 71.640 6.890 53.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30666 ATOM 30662 OW SOL 9697 66.940 11.250 44.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30667 ATOM 30663 HW1 SOL 9697 66.390 10.580 43.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30668 ATOM 30664 HW2 SOL 9697 66.790 12.160 43.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30669 ATOM 30665 OW SOL 9698 61.680 0.280 45.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30670 ATOM 30666 HW1 SOL 9698 61.510 0.210 46.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30671 ATOM 30667 HW2 SOL 9698 61.610 1.230 45.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30672 ATOM 30668 OW SOL 9699 65.360 13.630 43.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30673 ATOM 30669 HW1 SOL 9699 64.640 13.880 42.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30674 ATOM 30670 HW2 SOL 9699 65.140 13.990 44.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30675 ATOM 30671 OW SOL 9700 59.420 16.680 45.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30676 ATOM 30672 HW1 SOL 9700 59.730 15.750 45.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30677 ATOM 30673 HW2 SOL 9700 59.380 16.810 46.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30678 ATOM 30674 OW SOL 9701 69.870 11.970 44.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30679 ATOM 30675 HW1 SOL 9701 68.920 11.660 44.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30680 ATOM 30676 HW2 SOL 9701 70.120 12.570 44.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30681 ATOM 30677 OW SOL 9702 64.400 16.810 51.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30682 ATOM 30678 HW1 SOL 9702 64.210 15.830 51.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30683 ATOM 30679 HW2 SOL 9702 63.870 17.190 50.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30684 ATOM 30680 OW SOL 9703 58.960 9.050 39.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30685 ATOM 30681 HW1 SOL 9703 59.460 9.580 39.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30686 ATOM 30682 HW2 SOL 9703 58.980 8.080 39.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30687 ATOM 30683 OW SOL 9704 70.080 7.480 45.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30688 ATOM 30684 HW1 SOL 9704 70.250 6.520 46.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30689 ATOM 30685 HW2 SOL 9704 70.930 7.990 45.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30690 ATOM 30686 OW SOL 9705 60.210 13.500 54.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30691 ATOM 30687 HW1 SOL 9705 60.250 13.450 53.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30692 ATOM 30688 HW2 SOL 9705 59.600 12.790 55.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30693 ATOM 30689 OW SOL 9706 67.770 18.690 41.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30694 ATOM 30690 HW1 SOL 9706 67.600 17.850 41.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30695 ATOM 30691 HW2 SOL 9706 68.500 18.530 42.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30696 ATOM 30692 OW SOL 9707 57.220 2.720 52.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30697 ATOM 30693 HW1 SOL 9707 57.380 3.360 53.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30698 ATOM 30694 HW2 SOL 9707 56.260 2.450 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30699 ATOM 30695 OW SOL 9708 61.010 16.110 40.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30700 ATOM 30696 HW1 SOL 9708 61.970 16.390 40.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30701 ATOM 30697 HW2 SOL 9708 60.940 15.280 39.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30702 ATOM 30698 OW SOL 9709 70.090 71.680 40.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30703 ATOM 30699 HW1 SOL 9709 70.120 71.270 41.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30704 ATOM 30700 HW2 SOL 9709 70.490 72.590 40.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30705 ATOM 30701 OW SOL 9710 59.300 20.230 48.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30706 ATOM 30702 HW1 SOL 9710 59.830 21.080 48.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30707 ATOM 30703 HW2 SOL 9710 59.890 19.490 47.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30708 ATOM 30704 OW SOL 9711 65.600 17.800 43.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30709 ATOM 30705 HW1 SOL 9711 64.620 17.930 43.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30710 ATOM 30706 HW2 SOL 9711 66.080 18.640 43.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30711 ATOM 30707 OW SOL 9712 58.690 5.430 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30712 ATOM 30708 HW1 SOL 9712 59.280 4.680 42.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30713 ATOM 30709 HW2 SOL 9712 57.900 5.470 42.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30714 ATOM 30710 OW SOL 9713 71.060 1.640 54.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30715 ATOM 30711 HW1 SOL 9713 70.310 1.060 54.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30716 ATOM 30712 HW2 SOL 9713 70.740 2.590 54.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30717 ATOM 30713 OW SOL 9714 62.940 3.250 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30718 ATOM 30714 HW1 SOL 9714 63.040 2.330 37.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30719 ATOM 30715 HW2 SOL 9714 62.000 3.550 37.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30720 ATOM 30716 OW SOL 9715 61.530 2.730 55.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30721 ATOM 30717 HW1 SOL 9715 61.070 1.890 55.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30722 ATOM 30718 HW2 SOL 9715 60.990 3.520 55.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30723 ATOM 30719 OW SOL 9716 62.520 14.760 49.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30724 ATOM 30720 HW1 SOL 9716 62.850 15.700 49.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30725 ATOM 30721 HW2 SOL 9716 63.260 14.160 49.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30726 ATOM 30722 OW SOL 9717 67.870 3.720 52.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30727 ATOM 30723 HW1 SOL 9717 67.280 2.970 52.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30728 ATOM 30724 HW2 SOL 9717 68.450 3.990 53.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30729 ATOM 30725 OW SOL 9718 64.960 14.290 45.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30730 ATOM 30726 HW1 SOL 9718 65.100 15.200 46.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30731 ATOM 30727 HW2 SOL 9718 64.210 13.830 46.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30732 ATOM 30728 OW SOL 9719 64.770 2.750 46.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30733 ATOM 30729 HW1 SOL 9719 64.150 3.190 47.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30734 ATOM 30730 HW2 SOL 9719 65.030 1.850 46.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30735 ATOM 30731 OW SOL 9720 61.290 72.400 39.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30736 ATOM 30732 HW1 SOL 9720 60.700 71.610 39.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30737 ATOM 30733 HW2 SOL 9720 60.740 73.240 39.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30738 ATOM 30734 OW SOL 9721 70.630 14.050 39.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30739 ATOM 30735 HW1 SOL 9721 70.900 13.350 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30740 ATOM 30736 HW2 SOL 9721 70.710 14.950 40.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30741 ATOM 30737 OW SOL 9722 54.740 72.220 39.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30742 ATOM 30738 HW1 SOL 9722 54.200 71.420 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30743 ATOM 30739 HW2 SOL 9722 55.410 72.430 38.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30744 ATOM 30740 OW SOL 9723 65.140 1.790 39.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30745 ATOM 30741 HW1 SOL 9723 64.920 2.720 39.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30746 ATOM 30742 HW2 SOL 9723 66.090 1.740 40.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30747 ATOM 30743 OW SOL 9724 65.280 7.170 50.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30748 ATOM 30744 HW1 SOL 9724 64.750 6.400 51.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30749 ATOM 30745 HW2 SOL 9724 65.910 7.490 51.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30750 ATOM 30746 OW SOL 9725 65.890 17.000 46.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30751 ATOM 30747 HW1 SOL 9725 65.940 17.130 45.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30752 ATOM 30748 HW2 SOL 9725 66.470 16.230 46.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30753 ATOM 30749 OW SOL 9726 60.510 11.140 44.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30754 ATOM 30750 HW1 SOL 9726 59.710 10.560 44.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30755 ATOM 30751 HW2 SOL 9726 60.740 11.250 43.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30756 ATOM 30752 OW SOL 9727 70.040 18.670 43.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30757 ATOM 30753 HW1 SOL 9727 70.040 17.770 44.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30758 ATOM 30754 HW2 SOL 9727 70.260 19.370 44.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30759 ATOM 30755 OW SOL 9728 67.020 3.930 37.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30760 ATOM 30756 HW1 SOL 9728 67.070 4.420 36.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30761 ATOM 30757 HW2 SOL 9728 67.900 4.000 37.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30762 ATOM 30758 OW SOL 9729 56.650 6.130 50.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30763 ATOM 30759 HW1 SOL 9729 57.640 6.160 50.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30764 ATOM 30760 HW2 SOL 9729 56.270 6.910 50.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30765 ATOM 30761 OW SOL 9730 60.520 3.010 49.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30766 ATOM 30762 HW1 SOL 9730 60.710 2.770 50.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30767 ATOM 30763 HW2 SOL 9730 59.520 3.050 49.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30768 ATOM 30764 OW SOL 9731 64.220 3.070 42.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30769 ATOM 30765 HW1 SOL 9731 63.710 3.860 42.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30770 ATOM 30766 HW2 SOL 9731 63.920 2.250 41.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30771 ATOM 30767 OW SOL 9732 66.590 72.430 45.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30772 ATOM 30768 HW1 SOL 9732 66.970 73.300 44.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30773 ATOM 30769 HW2 SOL 9732 65.630 72.370 45.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30774 ATOM 30770 OW SOL 9733 65.880 11.510 48.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30775 ATOM 30771 HW1 SOL 9733 65.360 10.810 48.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30776 ATOM 30772 HW2 SOL 9733 65.500 11.600 47.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30777 ATOM 30773 OW SOL 9734 70.290 4.640 46.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30778 ATOM 30774 HW1 SOL 9734 69.340 4.750 46.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30779 ATOM 30775 HW2 SOL 9734 70.840 4.350 47.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30780 ATOM 30776 OW SOL 9735 71.910 6.410 41.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30781 ATOM 30777 HW1 SOL 9735 72.610 6.270 42.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30782 ATOM 30778 HW2 SOL 9735 71.210 5.690 41.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30783 ATOM 30779 OW SOL 9736 60.670 13.930 38.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30784 ATOM 30780 HW1 SOL 9736 59.850 13.380 38.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30785 ATOM 30781 HW2 SOL 9736 61.470 13.330 38.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30786 ATOM 30782 OW SOL 9737 69.430 4.540 38.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30787 ATOM 30783 HW1 SOL 9737 69.290 4.530 39.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30788 ATOM 30784 HW2 SOL 9737 69.870 3.690 38.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30789 ATOM 30785 OW SOL 9738 59.870 2.320 39.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30790 ATOM 30786 HW1 SOL 9738 59.230 1.760 39.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30791 ATOM 30787 HW2 SOL 9738 59.580 3.280 39.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30792 ATOM 30788 OW SOL 9739 64.210 13.420 51.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30793 ATOM 30789 HW1 SOL 9739 63.590 13.680 51.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30794 ATOM 30790 HW2 SOL 9739 64.590 12.520 51.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30795 ATOM 30791 OW SOL 9740 70.690 15.730 53.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30796 ATOM 30792 HW1 SOL 9740 71.680 15.580 53.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30797 ATOM 30793 HW2 SOL 9740 70.370 15.580 54.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30798 ATOM 30794 OW SOL 9741 64.910 9.710 50.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30799 ATOM 30795 HW1 SOL 9741 65.040 8.720 50.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30800 ATOM 30796 HW2 SOL 9741 64.630 9.910 51.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30801 ATOM 30797 OW SOL 9742 69.980 11.320 51.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30802 ATOM 30798 HW1 SOL 9742 70.880 11.560 50.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30803 ATOM 30799 HW2 SOL 9742 69.270 11.770 50.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30804 ATOM 30800 OW SOL 9743 63.520 1.990 52.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30805 ATOM 30801 HW1 SOL 9743 63.890 2.370 52.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30806 ATOM 30802 HW2 SOL 9743 64.090 2.260 51.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30807 ATOM 30803 OW SOL 9744 64.540 12.270 53.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30808 ATOM 30804 HW1 SOL 9744 63.940 12.590 54.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30809 ATOM 30805 HW2 SOL 9744 64.160 11.430 53.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30810 ATOM 30806 OW SOL 9745 63.200 7.930 38.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30811 ATOM 30807 HW1 SOL 9745 62.640 7.550 39.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30812 ATOM 30808 HW2 SOL 9745 64.040 7.390 38.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30813 ATOM 30809 OW SOL 9746 60.010 8.710 48.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30814 ATOM 30810 HW1 SOL 9746 59.710 7.840 47.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30815 ATOM 30811 HW2 SOL 9746 60.950 8.900 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30816 ATOM 30812 OW SOL 9747 67.360 3.760 49.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30817 ATOM 30813 HW1 SOL 9747 67.530 3.930 50.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30818 ATOM 30814 HW2 SOL 9747 66.530 3.230 49.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30819 ATOM 30815 OW SOL 9748 55.310 15.750 49.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30820 ATOM 30816 HW1 SOL 9748 55.180 16.700 49.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30821 ATOM 30817 HW2 SOL 9748 56.290 15.540 49.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30822 ATOM 30818 OW SOL 9749 58.850 11.100 41.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30823 ATOM 30819 HW1 SOL 9749 58.130 11.720 41.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30824 ATOM 30820 HW2 SOL 9749 58.880 10.310 41.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30825 ATOM 30821 OW SOL 9750 62.050 2.970 44.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30826 ATOM 30822 HW1 SOL 9750 61.160 2.910 43.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30827 ATOM 30823 HW2 SOL 9750 62.700 3.410 43.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30828 ATOM 30824 OW SOL 9751 67.950 15.220 43.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30829 ATOM 30825 HW1 SOL 9751 67.820 14.600 42.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30830 ATOM 30826 HW2 SOL 9751 67.530 16.100 42.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30831 ATOM 30827 OW SOL 9752 66.960 15.610 50.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30832 ATOM 30828 HW1 SOL 9752 67.340 15.180 51.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30833 ATOM 30829 HW2 SOL 9752 65.990 15.830 50.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30834 ATOM 30830 OW SOL 9753 70.740 3.670 42.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30835 ATOM 30831 HW1 SOL 9753 70.450 3.380 43.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30836 ATOM 30832 HW2 SOL 9753 69.940 3.880 42.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30837 ATOM 30833 OW SOL 9754 57.900 15.570 50.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30838 ATOM 30834 HW1 SOL 9754 58.680 14.950 49.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30839 ATOM 30835 HW2 SOL 9754 57.590 15.550 51.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30840 ATOM 30836 OW SOL 9755 62.580 7.350 54.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30841 ATOM 30837 HW1 SOL 9755 63.340 6.810 53.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30842 ATOM 30838 HW2 SOL 9755 61.740 6.820 53.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30843 ATOM 30839 OW SOL 9756 68.590 7.710 55.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30844 ATOM 30840 HW1 SOL 9756 69.470 8.110 55.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30845 ATOM 30841 HW2 SOL 9756 67.870 8.390 55.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30846 ATOM 30842 OW SOL 9757 64.450 72.470 55.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30847 ATOM 30843 HW1 SOL 9757 64.510 72.560 56.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30848 ATOM 30844 HW2 SOL 9757 63.770 71.780 54.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30849 ATOM 30845 OW SOL 9758 58.670 0.550 52.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30850 ATOM 30846 HW1 SOL 9758 58.680 0.000 52.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30851 ATOM 30847 HW2 SOL 9758 58.290 1.460 52.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30852 ATOM 30848 OW SOL 9759 63.980 8.830 47.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30853 ATOM 30849 HW1 SOL 9759 64.150 9.540 46.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30854 ATOM 30850 HW2 SOL 9759 63.400 9.210 47.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30855 ATOM 30851 OW SOL 9760 68.810 8.860 47.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30856 ATOM 30852 HW1 SOL 9760 69.220 8.220 47.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30857 ATOM 30853 HW2 SOL 9760 67.820 8.730 47.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30858 ATOM 30854 OW SOL 9761 68.500 4.280 41.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30859 ATOM 30855 HW1 SOL 9761 67.910 3.470 41.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30860 ATOM 30856 HW2 SOL 9761 67.960 5.100 41.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30861 ATOM 30857 OW SOL 9762 57.800 2.610 49.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30862 ATOM 30858 HW1 SOL 9762 57.520 2.590 50.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30863 ATOM 30859 HW2 SOL 9762 58.090 1.700 49.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30864 ATOM 30860 OW SOL 9763 55.370 12.950 49.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30865 ATOM 30861 HW1 SOL 9763 55.660 12.650 50.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30866 ATOM 30862 HW2 SOL 9763 55.230 13.950 49.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30867 ATOM 30863 OW SOL 9764 61.690 5.100 46.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30868 ATOM 30864 HW1 SOL 9764 61.750 4.490 45.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30869 ATOM 30865 HW2 SOL 9764 62.280 5.900 46.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30870 ATOM 30866 OW SOL 9765 56.890 71.900 41.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30871 ATOM 30867 HW1 SOL 9765 56.710 72.660 42.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30872 ATOM 30868 HW2 SOL 9765 57.570 71.290 41.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30873 ATOM 30869 OW SOL 9766 72.320 2.440 37.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30874 ATOM 30870 HW1 SOL 9766 71.590 2.320 37.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30875 ATOM 30871 HW2 SOL 9766 72.700 1.550 38.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30876 ATOM 30872 OW SOL 9767 66.570 4.600 45.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30877 ATOM 30873 HW1 SOL 9767 67.220 4.840 46.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30878 ATOM 30874 HW2 SOL 9767 65.860 4.000 45.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30879 ATOM 30875 OW SOL 9768 63.330 15.680 54.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30880 ATOM 30876 HW1 SOL 9768 63.450 16.600 55.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30881 ATOM 30877 HW2 SOL 9768 64.210 15.200 54.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30882 ATOM 30878 OW SOL 9769 61.930 9.390 55.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30883 ATOM 30879 HW1 SOL 9769 62.310 10.310 55.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30884 ATOM 30880 HW2 SOL 9769 62.470 8.760 55.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30885 ATOM 30881 OW SOL 9770 69.780 2.150 36.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30886 ATOM 30882 HW1 SOL 9770 69.010 2.640 36.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30887 ATOM 30883 HW2 SOL 9770 69.460 1.280 37.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30888 ATOM 30884 OW SOL 9771 69.960 7.340 38.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30889 ATOM 30885 HW1 SOL 9771 69.610 6.400 38.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30890 ATOM 30886 HW2 SOL 9771 70.820 7.370 39.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30891 ATOM 30887 OW SOL 9772 64.380 11.250 45.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30892 ATOM 30888 HW1 SOL 9772 64.920 11.880 45.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30893 ATOM 30889 HW2 SOL 9772 63.510 11.680 45.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30894 ATOM 30890 OW SOL 9773 58.150 7.530 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30895 ATOM 30891 HW1 SOL 9773 58.630 7.300 44.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30896 ATOM 30892 HW2 SOL 9773 58.310 6.820 46.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30897 ATOM 30893 OW SOL 9774 59.310 5.700 47.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30898 ATOM 30894 HW1 SOL 9774 58.870 4.810 47.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30899 ATOM 30895 HW2 SOL 9774 60.270 5.640 47.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30900 ATOM 30896 OW SOL 9775 68.030 2.320 55.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30901 ATOM 30897 HW1 SOL 9775 67.590 3.220 55.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30902 ATOM 30898 HW2 SOL 9775 67.580 1.790 54.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30903 ATOM 30899 OW SOL 9776 66.500 1.300 53.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30904 ATOM 30900 HW1 SOL 9776 65.810 0.920 54.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30905 ATOM 30901 HW2 SOL 9776 66.620 0.680 52.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30906 ATOM 30902 OW SOL 9777 54.420 10.640 41.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30907 ATOM 30903 HW1 SOL 9777 55.150 10.750 41.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30908 ATOM 30904 HW2 SOL 9777 54.660 9.900 40.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30909 ATOM 30905 OW SOL 9778 56.270 18.020 45.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30910 ATOM 30906 HW1 SOL 9778 55.410 17.590 45.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30911 ATOM 30907 HW2 SOL 9778 56.950 17.320 45.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30912 ATOM 30908 OW SOL 9779 59.200 13.810 44.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30913 ATOM 30909 HW1 SOL 9779 59.930 14.230 45.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30914 ATOM 30910 HW2 SOL 9779 59.380 12.840 44.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30915 ATOM 30911 OW SOL 9780 66.270 7.620 48.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30916 ATOM 30912 HW1 SOL 9780 66.090 7.330 49.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30917 ATOM 30913 HW2 SOL 9780 65.450 8.030 47.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30918 ATOM 30914 OW SOL 9781 56.070 5.320 46.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30919 ATOM 30915 HW1 SOL 9781 56.530 4.440 46.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30920 ATOM 30916 HW2 SOL 9781 56.360 5.930 47.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30921 ATOM 30917 OW SOL 9782 58.080 7.840 53.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30922 ATOM 30918 HW1 SOL 9782 58.420 7.330 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30923 ATOM 30919 HW2 SOL 9782 57.080 7.730 53.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30924 ATOM 30920 OW SOL 9783 70.040 8.520 51.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30925 ATOM 30921 HW1 SOL 9783 70.130 9.480 51.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30926 ATOM 30922 HW2 SOL 9783 69.740 8.000 50.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30927 ATOM 30923 OW SOL 9784 63.070 5.100 41.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30928 ATOM 30924 HW1 SOL 9784 63.210 4.680 40.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30929 ATOM 30925 HW2 SOL 9784 62.610 5.980 41.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30930 ATOM 30926 OW SOL 9785 57.200 13.830 55.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30931 ATOM 30927 HW1 SOL 9785 57.060 14.010 56.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30932 ATOM 30928 HW2 SOL 9785 57.760 13.010 55.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30933 ATOM 30929 OW SOL 9786 62.870 3.730 48.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30934 ATOM 30930 HW1 SOL 9786 62.070 3.380 48.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30935 ATOM 30931 HW2 SOL 9786 62.570 4.390 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30936 ATOM 30932 OW SOL 9787 63.250 17.680 49.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30937 ATOM 30933 HW1 SOL 9787 62.430 18.060 49.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30938 ATOM 30934 HW2 SOL 9787 63.910 18.420 48.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30939 ATOM 30935 OW SOL 9788 59.270 5.460 39.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30940 ATOM 30936 HW1 SOL 9788 58.970 5.480 40.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30941 ATOM 30937 HW2 SOL 9788 58.570 5.880 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30942 ATOM 30938 OW SOL 9789 58.710 10.380 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30943 ATOM 30939 HW1 SOL 9789 58.580 9.630 52.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30944 ATOM 30940 HW2 SOL 9789 58.470 10.070 51.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30945 ATOM 30941 OW SOL 9790 69.830 12.310 47.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30946 ATOM 30942 HW1 SOL 9790 69.790 11.350 46.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30947 ATOM 30943 HW2 SOL 9790 68.990 12.560 47.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30948 ATOM 30944 OW SOL 9791 70.680 10.720 39.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30949 ATOM 30945 HW1 SOL 9791 70.830 11.700 39.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30950 ATOM 30946 HW2 SOL 9791 71.290 10.240 38.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30951 ATOM 30947 OW SOL 9792 71.040 18.140 51.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30952 ATOM 30948 HW1 SOL 9792 71.200 17.220 52.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30953 ATOM 30949 HW2 SOL 9792 70.180 18.490 52.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30954 ATOM 30950 OW SOL 9793 67.970 18.520 49.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30955 ATOM 30951 HW1 SOL 9793 68.890 18.530 48.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30956 ATOM 30952 HW2 SOL 9793 67.600 17.590 49.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30957 ATOM 30953 OW SOL 9794 56.730 11.150 48.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30958 ATOM 30954 HW1 SOL 9794 56.260 11.830 48.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30959 ATOM 30955 HW2 SOL 9794 56.180 10.960 47.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30960 ATOM 30956 OW SOL 9795 61.940 19.100 56.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30961 ATOM 30957 HW1 SOL 9795 61.420 19.220 55.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30962 ATOM 30958 HW2 SOL 9795 62.850 18.750 55.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30963 ATOM 30959 OW SOL 9796 71.350 16.700 39.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30964 ATOM 30960 HW1 SOL 9796 71.350 17.610 39.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30965 ATOM 30961 HW2 SOL 9796 72.200 16.570 40.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30966 ATOM 30962 OW SOL 9797 55.240 17.080 56.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30967 ATOM 30963 HW1 SOL 9797 54.820 16.180 56.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30968 ATOM 30964 HW2 SOL 9797 56.200 17.040 56.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30969 ATOM 30965 OW SOL 9798 67.550 8.440 44.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30970 ATOM 30966 HW1 SOL 9798 68.340 7.980 44.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30971 ATOM 30967 HW2 SOL 9798 67.640 9.420 44.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30972 ATOM 30968 OW SOL 9799 62.520 15.040 52.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30973 ATOM 30969 HW1 SOL 9799 61.700 15.490 52.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30974 ATOM 30970 HW2 SOL 9799 62.680 15.310 53.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30975 ATOM 30971 OW SOL 9800 61.940 16.060 37.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30976 ATOM 30972 HW1 SOL 9800 62.760 15.710 36.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30977 ATOM 30973 HW2 SOL 9800 61.480 15.330 37.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30978 ATOM 30974 OW SOL 9801 56.780 1.890 42.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30979 ATOM 30975 HW1 SOL 9801 56.100 1.970 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30980 ATOM 30976 HW2 SOL 9801 56.340 2.080 43.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30981 ATOM 30977 OW SOL 9802 67.390 12.890 41.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30982 ATOM 30978 HW1 SOL 9802 67.870 12.040 41.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30983 ATOM 30979 HW2 SOL 9802 66.520 12.910 41.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30984 ATOM 30980 OW SOL 9803 61.450 11.070 51.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30985 ATOM 30981 HW1 SOL 9803 61.560 11.990 51.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30986 ATOM 30982 HW2 SOL 9803 60.480 10.880 51.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30987 ATOM 30983 OW SOL 9804 66.160 7.570 38.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30988 ATOM 30984 HW1 SOL 9804 66.660 8.410 38.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30989 ATOM 30985 HW2 SOL 9804 66.710 7.010 39.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30990 ATOM 30986 OW SOL 9805 68.650 16.620 36.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30991 ATOM 30987 HW1 SOL 9805 68.320 15.740 35.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30992 ATOM 30988 HW2 SOL 9805 68.420 17.330 35.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30993 ATOM 30989 OW SOL 9806 59.710 12.910 52.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30994 ATOM 30990 HW1 SOL 9806 59.390 13.390 51.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30995 ATOM 30991 HW2 SOL 9806 59.360 11.970 52.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30996 ATOM 30992 OW SOL 9807 65.350 9.690 41.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30997 ATOM 30993 HW1 SOL 9807 66.330 9.680 41.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30998 ATOM 30994 HW2 SOL 9807 64.870 9.610 40.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
30999 ATOM 30995 OW SOL 9808 65.410 0.470 47.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31000 ATOM 30996 HW1 SOL 9808 65.960 0.210 46.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31001 ATOM 30997 HW2 SOL 9808 64.760 -0.270 47.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31002 ATOM 30998 OW SOL 9809 63.330 14.140 41.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31003 ATOM 30999 HW1 SOL 9809 62.370 13.930 41.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31004 ATOM 31000 HW2 SOL 9809 63.440 15.120 41.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31005 ATOM 31001 OW SOL 9810 57.070 12.790 40.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31006 ATOM 31002 HW1 SOL 9810 56.090 12.920 40.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31007 ATOM 31003 HW2 SOL 9810 57.390 13.400 41.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31008 ATOM 31004 OW SOL 9811 58.990 8.990 55.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31009 ATOM 31005 HW1 SOL 9811 58.520 8.390 54.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31010 ATOM 31006 HW2 SOL 9811 59.970 8.880 55.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31011 ATOM 31007 OW SOL 9812 60.760 2.190 52.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31012 ATOM 31008 HW1 SOL 9812 60.220 1.350 52.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31013 ATOM 31009 HW2 SOL 9812 61.730 1.950 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31014 ATOM 31010 OW SOL 9813 55.610 3.920 36.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31015 ATOM 31011 HW1 SOL 9813 54.660 3.710 36.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31016 ATOM 31012 HW2 SOL 9813 55.920 4.690 35.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31017 ATOM 31013 OW SOL 9814 69.340 7.010 49.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31018 ATOM 31014 HW1 SOL 9814 69.230 7.770 49.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31019 ATOM 31015 HW2 SOL 9814 68.840 6.210 49.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31020 ATOM 31016 OW SOL 9815 53.130 4.200 39.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31021 ATOM 31017 HW1 SOL 9815 53.910 3.830 39.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31022 ATOM 31018 HW2 SOL 9815 52.670 3.450 38.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31023 ATOM 31019 OW SOL 9816 67.890 9.670 40.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31024 ATOM 31020 HW1 SOL 9816 68.850 9.730 41.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31025 ATOM 31021 HW2 SOL 9816 67.830 9.620 39.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31026 ATOM 31022 OW SOL 9817 62.760 10.480 48.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31027 ATOM 31023 HW1 SOL 9817 62.080 10.810 49.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31028 ATOM 31024 HW2 SOL 9817 63.620 10.310 49.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31029 ATOM 31025 OW SOL 9818 70.530 18.280 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31030 ATOM 31026 HW1 SOL 9818 70.950 17.490 47.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31031 ATOM 31027 HW2 SOL 9818 71.160 18.650 48.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31032 ATOM 31028 OW SOL 9819 64.030 3.450 54.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31033 ATOM 31029 HW1 SOL 9819 64.690 3.560 55.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31034 ATOM 31030 HW2 SOL 9819 63.190 3.060 54.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31035 ATOM 31031 OW SOL 9820 70.620 13.820 55.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31036 ATOM 31032 HW1 SOL 9820 70.030 13.950 56.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31037 ATOM 31033 HW2 SOL 9820 70.190 13.170 54.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31038 ATOM 31034 OW SOL 9821 57.470 15.430 52.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31039 ATOM 31035 HW1 SOL 9821 56.720 16.080 53.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31040 ATOM 31036 HW2 SOL 9821 57.680 14.970 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31041 ATOM 31037 OW SOL 9822 72.570 11.430 50.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31042 ATOM 31038 HW1 SOL 9822 72.660 12.430 50.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31043 ATOM 31039 HW2 SOL 9822 73.160 11.070 49.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31044 ATOM 31040 OW SOL 9823 67.760 1.370 40.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31045 ATOM 31041 HW1 SOL 9823 68.420 0.610 40.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31046 ATOM 31042 HW2 SOL 9823 67.620 1.690 41.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31047 ATOM 31043 OW SOL 9824 59.630 7.710 43.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31048 ATOM 31044 HW1 SOL 9824 60.480 8.060 43.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31049 ATOM 31045 HW2 SOL 9824 59.150 7.170 43.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31050 ATOM 31046 OW SOL 9825 69.430 12.070 53.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31051 ATOM 31047 HW1 SOL 9825 69.660 11.330 54.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31052 ATOM 31048 HW2 SOL 9825 69.670 11.820 52.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31053 ATOM 31049 OW SOL 9826 62.970 12.710 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31054 ATOM 31050 HW1 SOL 9826 63.510 11.870 39.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31055 ATOM 31051 HW2 SOL 9826 63.020 13.020 40.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31056 ATOM 31052 OW SOL 9827 62.870 17.860 44.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31057 ATOM 31053 HW1 SOL 9827 61.980 18.290 43.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31058 ATOM 31054 HW2 SOL 9827 62.790 17.200 44.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31059 ATOM 31055 OW SOL 9828 63.490 7.030 45.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31060 ATOM 31056 HW1 SOL 9828 64.290 6.930 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31061 ATOM 31057 HW2 SOL 9828 63.750 7.560 46.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31062 ATOM 31058 OW SOL 9829 68.150 9.290 38.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31063 ATOM 31059 HW1 SOL 9829 68.310 10.050 37.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31064 ATOM 31060 HW2 SOL 9829 68.980 8.730 38.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31065 ATOM 31061 OW SOL 9830 71.970 16.240 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31066 ATOM 31062 HW1 SOL 9830 71.050 16.160 45.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31067 ATOM 31063 HW2 SOL 9830 72.180 15.430 46.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31068 ATOM 31064 OW SOL 9831 58.420 11.600 55.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31069 ATOM 31065 HW1 SOL 9831 58.600 10.640 55.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31070 ATOM 31066 HW2 SOL 9831 58.750 11.800 56.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31071 ATOM 31067 OW SOL 9832 56.440 10.810 43.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31072 ATOM 31068 HW1 SOL 9832 56.470 9.990 43.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31073 ATOM 31069 HW2 SOL 9832 57.360 11.210 43.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31074 ATOM 31070 OW SOL 9833 59.900 16.780 52.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31075 ATOM 31071 HW1 SOL 9833 60.120 17.500 52.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31076 ATOM 31072 HW2 SOL 9833 59.030 16.360 52.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31077 ATOM 31073 OW SOL 9834 69.090 1.280 49.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31078 ATOM 31074 HW1 SOL 9834 68.350 1.280 50.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31079 ATOM 31075 HW2 SOL 9834 69.750 2.000 50.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31080 ATOM 31076 OW SOL 9835 59.480 2.920 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31081 ATOM 31077 HW1 SOL 9835 59.750 2.700 41.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31082 ATOM 31078 HW2 SOL 9835 58.650 2.420 42.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31083 ATOM 31079 OW SOL 9836 59.290 6.020 50.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31084 ATOM 31080 HW1 SOL 9836 59.930 5.560 51.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31085 ATOM 31081 HW2 SOL 9836 59.450 5.710 49.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31086 ATOM 31082 OW SOL 9837 63.680 16.680 41.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31087 ATOM 31083 HW1 SOL 9837 64.360 16.750 40.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31088 ATOM 31084 HW2 SOL 9837 63.900 17.320 41.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31089 ATOM 31085 OW SOL 9838 69.050 0.500 47.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31090 ATOM 31086 HW1 SOL 9838 68.390 -0.210 46.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31091 ATOM 31087 HW2 SOL 9838 68.950 0.770 48.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31092 ATOM 31088 OW SOL 9839 66.270 0.110 51.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31093 ATOM 31089 HW1 SOL 9839 65.550 0.800 51.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31094 ATOM 31090 HW2 SOL 9839 66.130 -0.570 50.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31095 ATOM 31091 OW SOL 9840 64.290 10.400 38.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31096 ATOM 31092 HW1 SOL 9840 63.700 9.590 38.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31097 ATOM 31093 HW2 SOL 9840 65.020 10.270 38.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31098 ATOM 31094 OW SOL 9841 61.120 14.720 46.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31099 ATOM 31095 HW1 SOL 9841 61.520 15.150 47.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31100 ATOM 31096 HW2 SOL 9841 61.590 13.850 46.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31101 ATOM 31097 OW SOL 9842 69.180 72.230 37.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31102 ATOM 31098 HW1 SOL 9842 69.670 72.410 38.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31103 ATOM 31099 HW2 SOL 9842 68.590 71.430 37.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31104 ATOM 31100 OW SOL 9843 66.860 2.720 43.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31105 ATOM 31101 HW1 SOL 9843 65.890 2.640 43.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31106 ATOM 31102 HW2 SOL 9843 67.050 3.600 43.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31107 ATOM 31103 OW SOL 9844 70.050 2.030 45.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31108 ATOM 31104 HW1 SOL 9844 69.700 1.330 45.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31109 ATOM 31105 HW2 SOL 9844 70.060 2.910 45.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31110 ATOM 31106 OW SOL 9845 55.290 8.640 39.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31111 ATOM 31107 HW1 SOL 9845 55.050 7.700 39.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31112 ATOM 31108 HW2 SOL 9845 56.280 8.740 39.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31113 ATOM 31109 OW SOL 9846 67.100 16.230 39.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31114 ATOM 31110 HW1 SOL 9846 67.510 15.440 39.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31115 ATOM 31111 HW2 SOL 9846 66.230 16.460 39.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31116 ATOM 31112 OW SOL 9847 57.030 4.400 57.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31117 ATOM 31113 HW1 SOL 9847 56.830 3.420 57.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31118 ATOM 31114 HW2 SOL 9847 56.800 4.880 58.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31119 ATOM 31115 OW SOL 9848 55.970 0.730 66.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31120 ATOM 31116 HW1 SOL 9848 56.610 0.150 66.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31121 ATOM 31117 HW2 SOL 9848 55.040 0.540 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31122 ATOM 31118 OW SOL 9849 56.270 4.110 62.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31123 ATOM 31119 HW1 SOL 9849 56.020 4.710 61.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31124 ATOM 31120 HW2 SOL 9849 56.710 4.650 63.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31125 ATOM 31121 OW SOL 9850 58.440 11.910 66.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31126 ATOM 31122 HW1 SOL 9850 57.780 11.310 66.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31127 ATOM 31123 HW2 SOL 9850 58.080 12.840 66.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31128 ATOM 31124 OW SOL 9851 69.560 15.630 62.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31129 ATOM 31125 HW1 SOL 9851 69.260 15.790 61.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31130 ATOM 31126 HW2 SOL 9851 69.230 16.380 63.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31131 ATOM 31127 OW SOL 9852 66.350 5.450 63.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31132 ATOM 31128 HW1 SOL 9852 67.060 6.150 63.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31133 ATOM 31129 HW2 SOL 9852 65.710 5.670 63.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31134 ATOM 31130 OW SOL 9853 72.380 3.790 59.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31135 ATOM 31131 HW1 SOL 9853 71.860 3.130 60.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31136 ATOM 31132 HW2 SOL 9853 73.310 3.470 59.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31137 ATOM 31133 OW SOL 9854 60.400 10.510 67.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31138 ATOM 31134 HW1 SOL 9854 59.640 11.100 67.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31139 ATOM 31135 HW2 SOL 9854 61.260 10.880 67.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31140 ATOM 31136 OW SOL 9855 59.950 9.580 71.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31141 ATOM 31137 HW1 SOL 9855 60.800 9.080 72.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31142 ATOM 31138 HW2 SOL 9855 59.430 9.130 71.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31143 ATOM 31139 OW SOL 9856 62.920 7.330 62.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31144 ATOM 31140 HW1 SOL 9856 63.770 6.950 63.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31145 ATOM 31141 HW2 SOL 9856 62.660 8.130 63.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31146 ATOM 31142 OW SOL 9857 57.230 13.250 63.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31147 ATOM 31143 HW1 SOL 9857 57.720 12.390 63.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31148 ATOM 31144 HW2 SOL 9857 57.840 13.920 63.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31149 ATOM 31145 OW SOL 9858 67.760 14.520 71.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31150 ATOM 31146 HW1 SOL 9858 66.800 14.740 71.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31151 ATOM 31147 HW2 SOL 9858 67.980 14.800 72.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31152 ATOM 31148 OW SOL 9859 60.740 0.980 66.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31153 ATOM 31149 HW1 SOL 9859 60.780 0.320 67.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31154 ATOM 31150 HW2 SOL 9859 60.750 0.490 66.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31155 ATOM 31151 OW SOL 9860 59.600 16.520 60.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31156 ATOM 31152 HW1 SOL 9860 59.470 17.350 60.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31157 ATOM 31153 HW2 SOL 9860 59.830 16.770 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31158 ATOM 31154 OW SOL 9861 60.990 14.940 61.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31159 ATOM 31155 HW1 SOL 9861 60.510 15.390 60.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31160 ATOM 31156 HW2 SOL 9861 60.590 14.040 61.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31161 ATOM 31157 OW SOL 9862 58.510 10.860 63.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31162 ATOM 31158 HW1 SOL 9862 58.280 9.900 63.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31163 ATOM 31159 HW2 SOL 9862 58.740 11.010 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31164 ATOM 31160 OW SOL 9863 59.980 17.660 69.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31165 ATOM 31161 HW1 SOL 9863 59.240 18.060 70.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31166 ATOM 31162 HW2 SOL 9863 60.570 18.390 69.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31167 ATOM 31163 OW SOL 9864 62.090 8.410 58.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31168 ATOM 31164 HW1 SOL 9864 62.180 8.940 57.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31169 ATOM 31165 HW2 SOL 9864 62.570 8.890 58.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31170 ATOM 31166 OW SOL 9865 67.800 1.620 71.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31171 ATOM 31167 HW1 SOL 9865 68.710 2.050 71.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31172 ATOM 31168 HW2 SOL 9865 67.420 1.710 72.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31173 ATOM 31169 OW SOL 9866 55.460 5.720 60.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31174 ATOM 31170 HW1 SOL 9866 54.560 5.730 59.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31175 ATOM 31171 HW2 SOL 9866 55.650 6.630 60.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31176 ATOM 31172 OW SOL 9867 56.500 14.850 57.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31177 ATOM 31173 HW1 SOL 9867 55.780 14.170 57.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31178 ATOM 31174 HW2 SOL 9867 56.660 15.300 58.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31179 ATOM 31175 OW SOL 9868 67.880 16.160 60.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31180 ATOM 31176 HW1 SOL 9868 68.620 16.000 59.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31181 ATOM 31177 HW2 SOL 9868 67.100 16.570 59.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31182 ATOM 31178 OW SOL 9869 56.210 6.680 70.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31183 ATOM 31179 HW1 SOL 9869 57.080 6.220 70.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31184 ATOM 31180 HW2 SOL 9869 56.310 7.230 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31185 ATOM 31181 OW SOL 9870 61.380 13.400 64.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31186 ATOM 31182 HW1 SOL 9870 61.160 13.130 63.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31187 ATOM 31183 HW2 SOL 9870 61.490 14.390 64.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31188 ATOM 31184 OW SOL 9871 65.450 12.320 72.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31189 ATOM 31185 HW1 SOL 9871 66.270 11.750 71.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31190 ATOM 31186 HW2 SOL 9871 65.660 13.250 71.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31191 ATOM 31187 OW SOL 9872 62.900 72.210 59.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31192 ATOM 31188 HW1 SOL 9872 63.410 72.730 58.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31193 ATOM 31189 HW2 SOL 9872 61.930 72.210 59.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31194 ATOM 31190 OW SOL 9873 55.680 7.720 67.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31195 ATOM 31191 HW1 SOL 9873 55.730 6.770 67.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31196 ATOM 31192 HW2 SOL 9873 54.770 7.920 68.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31197 ATOM 31193 OW SOL 9874 68.870 10.010 59.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31198 ATOM 31194 HW1 SOL 9874 68.870 9.340 60.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31199 ATOM 31195 HW2 SOL 9874 69.740 10.510 59.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31200 ATOM 31196 OW SOL 9875 70.190 16.770 70.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31201 ATOM 31197 HW1 SOL 9875 70.600 17.120 69.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31202 ATOM 31198 HW2 SOL 9875 70.330 15.780 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31203 ATOM 31199 OW SOL 9876 55.620 2.940 71.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31204 ATOM 31200 HW1 SOL 9876 55.700 3.860 72.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31205 ATOM 31201 HW2 SOL 9876 56.330 2.800 71.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31206 ATOM 31202 OW SOL 9877 69.150 14.520 65.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31207 ATOM 31203 HW1 SOL 9877 69.490 15.010 64.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31208 ATOM 31204 HW2 SOL 9877 69.790 14.650 66.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31209 ATOM 31205 OW SOL 9878 72.210 20.240 65.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31210 ATOM 31206 HW1 SOL 9878 72.350 19.270 65.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31211 ATOM 31207 HW2 SOL 9878 71.330 20.390 65.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31212 ATOM 31208 OW SOL 9879 61.520 5.950 59.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31213 ATOM 31209 HW1 SOL 9879 61.880 6.830 59.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31214 ATOM 31210 HW2 SOL 9879 60.550 6.040 59.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31215 ATOM 31211 OW SOL 9880 67.370 4.400 65.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31216 ATOM 31212 HW1 SOL 9880 67.060 3.460 65.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31217 ATOM 31213 HW2 SOL 9880 66.730 4.890 66.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31218 ATOM 31214 OW SOL 9881 70.540 17.820 59.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31219 ATOM 31215 HW1 SOL 9881 71.230 18.480 58.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31220 ATOM 31216 HW2 SOL 9881 69.640 18.110 58.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31221 ATOM 31217 OW SOL 9882 62.070 4.350 69.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31222 ATOM 31218 HW1 SOL 9882 62.750 3.770 70.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31223 ATOM 31219 HW2 SOL 9882 61.920 4.020 68.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31224 ATOM 31220 OW SOL 9883 62.460 8.530 72.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31225 ATOM 31221 HW1 SOL 9883 62.560 7.670 71.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31226 ATOM 31222 HW2 SOL 9883 62.870 9.280 71.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31227 ATOM 31223 OW SOL 9884 65.200 2.700 67.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31228 ATOM 31224 HW1 SOL 9884 64.200 2.660 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31229 ATOM 31225 HW2 SOL 9884 65.540 2.230 66.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31230 ATOM 31226 OW SOL 9885 64.940 5.570 60.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31231 ATOM 31227 HW1 SOL 9885 63.960 5.710 60.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31232 ATOM 31228 HW2 SOL 9885 65.390 5.990 61.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31233 ATOM 31229 OW SOL 9886 54.730 6.990 63.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31234 ATOM 31230 HW1 SOL 9886 55.150 7.440 62.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31235 ATOM 31231 HW2 SOL 9886 55.290 7.160 64.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31236 ATOM 31232 OW SOL 9887 57.370 19.600 70.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31237 ATOM 31233 HW1 SOL 9887 56.990 19.360 70.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31238 ATOM 31234 HW2 SOL 9887 56.960 19.000 69.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31239 ATOM 31235 OW SOL 9888 63.010 3.110 57.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31240 ATOM 31236 HW1 SOL 9888 63.640 3.860 57.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31241 ATOM 31237 HW2 SOL 9888 62.310 3.060 56.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31242 ATOM 31238 OW SOL 9889 66.370 10.490 60.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31243 ATOM 31239 HW1 SOL 9889 66.040 11.170 59.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31244 ATOM 31240 HW2 SOL 9889 67.330 10.270 60.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31245 ATOM 31241 OW SOL 9890 60.880 72.260 64.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31246 ATOM 31242 HW1 SOL 9890 61.820 72.600 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31247 ATOM 31243 HW2 SOL 9890 60.290 72.820 63.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31248 ATOM 31244 OW SOL 9891 65.000 13.940 61.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31249 ATOM 31245 HW1 SOL 9891 64.440 13.160 61.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31250 ATOM 31246 HW2 SOL 9891 64.860 14.690 60.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31251 ATOM 31247 OW SOL 9892 56.810 17.150 62.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31252 ATOM 31248 HW1 SOL 9892 55.990 16.990 63.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31253 ATOM 31249 HW2 SOL 9892 57.490 16.450 63.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31254 ATOM 31250 OW SOL 9893 68.780 10.000 63.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31255 ATOM 31251 HW1 SOL 9893 67.870 10.410 63.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31256 ATOM 31252 HW2 SOL 9893 69.390 10.500 63.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31257 ATOM 31253 OW SOL 9894 65.280 15.490 71.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31258 ATOM 31254 HW1 SOL 9894 65.100 15.760 70.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31259 ATOM 31255 HW2 SOL 9894 64.690 16.000 71.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31260 ATOM 31256 OW SOL 9895 59.530 8.890 58.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31261 ATOM 31257 HW1 SOL 9895 60.510 8.750 57.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31262 ATOM 31258 HW2 SOL 9895 59.080 8.900 57.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31263 ATOM 31259 OW SOL 9896 71.470 11.700 59.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31264 ATOM 31260 HW1 SOL 9896 72.340 11.280 60.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31265 ATOM 31261 HW2 SOL 9896 71.430 11.820 58.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31266 ATOM 31262 OW SOL 9897 57.120 11.780 2.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31267 ATOM 31263 HW1 SOL 9897 57.240 12.420 1.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31268 ATOM 31264 HW2 SOL 9897 57.810 11.060 2.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31269 ATOM 31265 OW SOL 9898 65.690 16.470 57.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31270 ATOM 31266 HW1 SOL 9898 65.280 16.500 58.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31271 ATOM 31267 HW2 SOL 9898 65.810 15.510 57.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31272 ATOM 31268 OW SOL 9899 59.270 1.170 69.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31273 ATOM 31269 HW1 SOL 9899 60.270 1.180 69.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31274 ATOM 31270 HW2 SOL 9899 58.870 1.910 69.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31275 ATOM 31271 OW SOL 9900 60.600 18.100 58.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31276 ATOM 31272 HW1 SOL 9900 60.850 18.810 58.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31277 ATOM 31273 HW2 SOL 9900 61.220 18.150 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31278 ATOM 31274 OW SOL 9901 69.010 1.750 59.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31279 ATOM 31275 HW1 SOL 9901 69.780 1.500 58.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31280 ATOM 31276 HW2 SOL 9901 69.330 2.300 60.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31281 ATOM 31277 OW SOL 9902 56.060 18.050 68.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31282 ATOM 31278 HW1 SOL 9902 55.890 17.060 68.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31283 ATOM 31279 HW2 SOL 9902 56.640 18.340 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31284 ATOM 31280 OW SOL 9903 65.030 15.100 65.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31285 ATOM 31281 HW1 SOL 9903 65.940 14.840 65.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31286 ATOM 31282 HW2 SOL 9903 64.350 14.840 64.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31287 ATOM 31283 OW SOL 9904 58.790 5.530 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31288 ATOM 31284 HW1 SOL 9904 58.470 4.620 60.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31289 ATOM 31285 HW2 SOL 9904 58.020 6.170 59.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31290 ATOM 31286 OW SOL 9905 59.850 72.430 55.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31291 ATOM 31287 HW1 SOL 9905 60.000 71.450 55.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31292 ATOM 31288 HW2 SOL 9905 59.420 72.790 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31293 ATOM 31289 OW SOL 9906 63.940 70.790 1.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31294 ATOM 31290 HW1 SOL 9906 63.600 70.380 2.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31295 ATOM 31291 HW2 SOL 9906 63.650 70.230 0.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31296 ATOM 31292 OW SOL 9907 60.890 13.550 69.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31297 ATOM 31293 HW1 SOL 9907 61.490 13.000 69.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31298 ATOM 31294 HW2 SOL 9907 60.700 13.060 70.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31299 ATOM 31295 OW SOL 9908 65.430 6.970 0.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31300 ATOM 31296 HW1 SOL 9908 65.470 6.930 -0.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31301 ATOM 31297 HW2 SOL 9908 65.270 7.910 0.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31302 ATOM 31298 OW SOL 9909 62.570 11.440 66.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31303 ATOM 31299 HW1 SOL 9909 63.560 11.370 66.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31304 ATOM 31300 HW2 SOL 9909 62.230 12.170 65.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31305 ATOM 31301 OW SOL 9910 63.060 3.050 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31306 ATOM 31302 HW1 SOL 9910 63.000 2.470 63.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31307 ATOM 31303 HW2 SOL 9910 62.900 2.480 65.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31308 ATOM 31304 OW SOL 9911 60.270 72.120 59.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31309 ATOM 31305 HW1 SOL 9911 59.460 71.740 60.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31310 ATOM 31306 HW2 SOL 9911 60.010 72.900 59.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31311 ATOM 31307 OW SOL 9912 67.660 11.120 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31312 ATOM 31308 HW1 SOL 9912 68.050 10.510 58.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31313 ATOM 31309 HW2 SOL 9912 66.670 10.980 57.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31314 ATOM 31310 OW SOL 9913 56.910 1.180 57.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31315 ATOM 31311 HW1 SOL 9913 57.870 0.940 57.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31316 ATOM 31312 HW2 SOL 9913 56.360 0.350 57.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31317 ATOM 31313 OW SOL 9914 64.720 1.010 57.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31318 ATOM 31314 HW1 SOL 9914 64.330 1.920 57.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31319 ATOM 31315 HW2 SOL 9914 65.400 1.020 58.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31320 ATOM 31316 OW SOL 9915 63.770 6.250 70.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31321 ATOM 31317 HW1 SOL 9915 63.050 5.590 70.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31322 ATOM 31318 HW2 SOL 9915 64.400 5.860 71.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31323 ATOM 31319 OW SOL 9916 66.960 13.310 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31324 ATOM 31320 HW1 SOL 9916 67.340 13.010 63.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31325 ATOM 31321 HW2 SOL 9916 67.690 13.730 65.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31326 ATOM 31322 OW SOL 9917 61.670 9.070 64.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31327 ATOM 31323 HW1 SOL 9917 62.020 9.790 65.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31328 ATOM 31324 HW2 SOL 9917 60.710 8.900 65.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31329 ATOM 31325 OW SOL 9918 69.050 17.410 64.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31330 ATOM 31326 HW1 SOL 9918 69.870 17.720 64.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31331 ATOM 31327 HW2 SOL 9918 68.360 18.140 64.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31332 ATOM 31328 OW SOL 9919 65.680 4.080 56.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31333 ATOM 31329 HW1 SOL 9919 65.010 4.820 56.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31334 ATOM 31330 HW2 SOL 9919 66.230 4.030 57.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31335 ATOM 31331 OW SOL 9920 58.190 3.580 70.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31336 ATOM 31332 HW1 SOL 9920 58.530 3.780 69.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31337 ATOM 31333 HW2 SOL 9920 58.510 4.280 70.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31338 ATOM 31334 OW SOL 9921 63.610 0.640 65.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31339 ATOM 31335 HW1 SOL 9921 64.010 0.150 66.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31340 ATOM 31336 HW2 SOL 9921 64.230 0.600 64.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31341 ATOM 31337 OW SOL 9922 62.310 1.160 61.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31342 ATOM 31338 HW1 SOL 9922 62.030 2.070 61.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31343 ATOM 31339 HW2 SOL 9922 62.570 0.620 60.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31344 ATOM 31340 OW SOL 9923 65.300 1.050 63.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31345 ATOM 31341 HW1 SOL 9923 65.800 1.860 63.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31346 ATOM 31342 HW2 SOL 9923 64.990 0.510 62.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31347 ATOM 31343 OW SOL 9924 69.890 12.030 62.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31348 ATOM 31344 HW1 SOL 9924 69.080 12.600 62.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31349 ATOM 31345 HW2 SOL 9924 70.440 12.000 61.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31350 ATOM 31346 OW SOL 9925 68.920 7.580 66.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31351 ATOM 31347 HW1 SOL 9925 68.630 7.230 67.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31352 ATOM 31348 HW2 SOL 9925 69.530 6.930 65.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31353 ATOM 31349 OW SOL 9926 72.010 6.470 60.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31354 ATOM 31350 HW1 SOL 9926 72.450 6.610 61.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31355 ATOM 31351 HW2 SOL 9926 72.070 5.510 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31356 ATOM 31352 OW SOL 9927 59.540 15.380 56.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31357 ATOM 31353 HW1 SOL 9927 59.550 14.730 55.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31358 ATOM 31354 HW2 SOL 9927 59.050 16.210 56.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31359 ATOM 31355 OW SOL 9928 67.680 6.990 58.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31360 ATOM 31356 HW1 SOL 9928 67.840 6.000 58.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31361 ATOM 31357 HW2 SOL 9928 68.130 7.310 57.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31362 ATOM 31358 OW SOL 9929 59.600 1.290 57.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31363 ATOM 31359 HW1 SOL 9929 59.830 0.950 56.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31364 ATOM 31360 HW2 SOL 9929 59.950 2.220 57.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31365 ATOM 31361 OW SOL 9930 63.070 10.600 70.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31366 ATOM 31362 HW1 SOL 9930 62.270 11.200 70.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31367 ATOM 31363 HW2 SOL 9930 63.900 11.150 70.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31368 ATOM 31364 OW SOL 9931 65.370 12.000 68.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31369 ATOM 31365 HW1 SOL 9931 65.180 12.880 69.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31370 ATOM 31366 HW2 SOL 9931 64.990 11.990 67.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31371 ATOM 31367 OW SOL 9932 70.110 11.870 66.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31372 ATOM 31368 HW1 SOL 9932 70.030 12.630 67.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31373 ATOM 31369 HW2 SOL 9932 69.340 11.250 66.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31374 ATOM 31370 OW SOL 9933 66.110 0.950 69.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31375 ATOM 31371 HW1 SOL 9933 65.900 1.760 68.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31376 ATOM 31372 HW2 SOL 9933 66.840 1.170 69.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31377 ATOM 31373 OW SOL 9934 63.370 9.120 60.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31378 ATOM 31374 HW1 SOL 9934 63.160 8.540 61.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31379 ATOM 31375 HW2 SOL 9934 64.330 9.400 60.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31380 ATOM 31376 OW SOL 9935 58.920 5.990 67.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31381 ATOM 31377 HW1 SOL 9935 59.310 6.490 67.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31382 ATOM 31378 HW2 SOL 9935 59.010 5.010 67.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31383 ATOM 31379 OW SOL 9936 66.180 5.040 71.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31384 ATOM 31380 HW1 SOL 9936 67.160 5.180 71.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31385 ATOM 31381 HW2 SOL 9936 65.990 5.020 70.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31386 ATOM 31382 OW SOL 9937 57.950 15.490 70.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31387 ATOM 31383 HW1 SOL 9937 58.240 15.510 69.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31388 ATOM 31384 HW2 SOL 9937 58.430 16.220 71.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31389 ATOM 31385 OW SOL 9938 60.200 11.150 59.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31390 ATOM 31386 HW1 SOL 9938 59.920 11.890 59.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31391 ATOM 31387 HW2 SOL 9938 59.700 10.320 59.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31392 ATOM 31388 OW SOL 9939 59.680 1.450 62.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31393 ATOM 31389 HW1 SOL 9939 59.300 2.110 61.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31394 ATOM 31390 HW2 SOL 9939 60.550 1.110 62.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31395 ATOM 31391 OW SOL 9940 67.640 13.450 61.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31396 ATOM 31392 HW1 SOL 9940 67.990 14.370 61.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31397 ATOM 31393 HW2 SOL 9940 66.640 13.480 61.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31398 ATOM 31394 OW SOL 9941 68.030 10.450 67.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31399 ATOM 31395 HW1 SOL 9941 67.600 10.110 68.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31400 ATOM 31396 HW2 SOL 9941 67.820 9.840 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31401 ATOM 31397 OW SOL 9942 69.540 4.580 63.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31402 ATOM 31398 HW1 SOL 9942 69.400 4.210 64.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31403 ATOM 31399 HW2 SOL 9942 69.430 5.570 63.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31404 ATOM 31400 OW SOL 9943 55.490 15.470 67.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31405 ATOM 31401 HW1 SOL 9943 55.120 15.010 66.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31406 ATOM 31402 HW2 SOL 9943 55.190 14.990 68.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31407 ATOM 31403 OW SOL 9944 59.020 6.060 70.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31408 ATOM 31404 HW1 SOL 9944 59.690 6.520 70.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31409 ATOM 31405 HW2 SOL 9944 59.240 6.230 71.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31410 ATOM 31406 OW SOL 9945 70.900 8.020 71.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31411 ATOM 31407 HW1 SOL 9945 71.240 8.670 72.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31412 ATOM 31408 HW2 SOL 9945 70.970 8.430 70.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31413 ATOM 31409 OW SOL 9946 59.080 8.780 65.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31414 ATOM 31410 HW1 SOL 9946 59.160 8.860 66.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31415 ATOM 31411 HW2 SOL 9946 58.130 8.910 65.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31416 ATOM 31412 OW SOL 9947 66.220 8.210 66.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31417 ATOM 31413 HW1 SOL 9947 65.480 7.610 66.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31418 ATOM 31414 HW2 SOL 9947 67.050 7.990 66.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31419 ATOM 31415 OW SOL 9948 66.900 4.140 58.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31420 ATOM 31416 HW1 SOL 9948 66.810 3.190 59.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31421 ATOM 31417 HW2 SOL 9948 66.450 4.740 59.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31422 ATOM 31418 OW SOL 9949 53.430 0.440 67.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31423 ATOM 31419 HW1 SOL 9949 53.730 0.790 68.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31424 ATOM 31420 HW2 SOL 9949 52.490 0.100 67.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31425 ATOM 31421 OW SOL 9950 56.740 10.550 67.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31426 ATOM 31422 HW1 SOL 9950 56.460 9.590 67.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31427 ATOM 31423 HW2 SOL 9950 56.570 10.990 68.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31428 ATOM 31424 OW SOL 9951 61.380 5.780 66.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31429 ATOM 31425 HW1 SOL 9951 61.420 6.150 65.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31430 ATOM 31426 HW2 SOL 9951 60.600 6.170 66.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31431 ATOM 31427 OW SOL 9952 57.860 71.670 60.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31432 ATOM 31428 HW1 SOL 9952 57.120 71.540 60.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31433 ATOM 31429 HW2 SOL 9952 57.560 72.270 61.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31434 ATOM 31430 OW SOL 9953 70.300 2.620 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31435 ATOM 31431 HW1 SOL 9953 70.970 2.200 61.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31436 ATOM 31432 HW2 SOL 9953 69.940 3.450 61.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31437 ATOM 31433 OW SOL 9954 65.940 4.980 68.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31438 ATOM 31434 HW1 SOL 9954 65.140 5.590 68.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31439 ATOM 31435 HW2 SOL 9954 65.670 4.080 68.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31440 ATOM 31436 OW SOL 9955 69.970 4.350 57.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31441 ATOM 31437 HW1 SOL 9955 69.190 3.790 57.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31442 ATOM 31438 HW2 SOL 9955 70.770 4.110 57.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31443 ATOM 31439 OW SOL 9956 67.120 7.680 52.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31444 ATOM 31440 HW1 SOL 9956 67.620 8.550 52.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31445 ATOM 31441 HW2 SOL 9956 67.650 7.000 53.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31446 ATOM 31442 OW SOL 9957 65.230 11.400 66.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31447 ATOM 31443 HW1 SOL 9957 65.660 10.530 65.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31448 ATOM 31444 HW2 SOL 9957 65.750 12.150 65.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31449 ATOM 31445 OW SOL 9958 58.130 7.980 62.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31450 ATOM 31446 HW1 SOL 9958 58.940 7.470 62.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31451 ATOM 31447 HW2 SOL 9958 57.820 7.610 63.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31452 ATOM 31448 OW SOL 9959 57.750 2.410 64.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31453 ATOM 31449 HW1 SOL 9959 57.030 1.800 65.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31454 ATOM 31450 HW2 SOL 9959 58.370 1.900 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31455 ATOM 31451 OW SOL 9960 64.260 3.210 70.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31456 ATOM 31452 HW1 SOL 9960 64.670 2.350 70.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31457 ATOM 31453 HW2 SOL 9960 64.940 3.760 71.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31458 ATOM 31454 OW SOL 9961 56.490 12.310 59.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31459 ATOM 31455 HW1 SOL 9961 56.110 12.520 60.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31460 ATOM 31456 HW2 SOL 9961 56.800 11.360 59.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31461 ATOM 31457 OW SOL 9962 54.930 18.640 64.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31462 ATOM 31458 HW1 SOL 9962 54.730 17.700 64.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31463 ATOM 31459 HW2 SOL 9962 55.800 18.680 65.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31464 ATOM 31460 OW SOL 9963 58.840 15.240 64.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31465 ATOM 31461 HW1 SOL 9963 59.110 14.920 65.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31466 ATOM 31462 HW2 SOL 9963 59.540 15.860 63.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31467 ATOM 31463 OW SOL 9964 63.540 6.910 67.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31468 ATOM 31464 HW1 SOL 9964 63.420 7.720 67.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31469 ATOM 31465 HW2 SOL 9964 62.650 6.550 66.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31470 ATOM 31466 OW SOL 9965 57.490 5.040 64.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31471 ATOM 31467 HW1 SOL 9965 57.620 4.050 64.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31472 ATOM 31468 HW2 SOL 9965 57.940 5.360 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31473 ATOM 31469 OW SOL 9966 61.750 3.290 60.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31474 ATOM 31470 HW1 SOL 9966 62.310 2.920 59.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31475 ATOM 31471 HW2 SOL 9966 61.850 4.280 60.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31476 ATOM 31472 OW SOL 9967 57.050 15.620 1.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31477 ATOM 31473 HW1 SOL 9967 56.730 16.150 2.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31478 ATOM 31474 HW2 SOL 9967 56.270 15.290 1.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31479 ATOM 31475 OW SOL 9968 62.300 3.210 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31480 ATOM 31476 HW1 SOL 9968 61.750 2.380 66.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31481 ATOM 31477 HW2 SOL 9968 61.820 3.970 66.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31482 ATOM 31478 OW SOL 9969 61.350 15.880 71.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31483 ATOM 31479 HW1 SOL 9969 61.800 15.140 70.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31484 ATOM 31480 HW2 SOL 9969 60.930 16.510 70.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31485 ATOM 31481 OW SOL 9970 60.030 4.280 57.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31486 ATOM 31482 HW1 SOL 9970 60.590 4.730 58.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31487 ATOM 31483 HW2 SOL 9970 59.070 4.270 57.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31488 ATOM 31484 OW SOL 9971 55.860 11.030 70.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31489 ATOM 31485 HW1 SOL 9971 54.970 11.100 70.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31490 ATOM 31486 HW2 SOL 9971 55.880 10.220 71.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31491 ATOM 31487 OW SOL 9972 66.180 9.390 69.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31492 ATOM 31488 HW1 SOL 9972 66.080 8.860 68.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31493 ATOM 31489 HW2 SOL 9972 65.800 10.310 69.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31494 ATOM 31490 OW SOL 9973 69.380 7.250 60.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31495 ATOM 31491 HW1 SOL 9973 70.310 7.070 60.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31496 ATOM 31492 HW2 SOL 9973 68.760 7.180 59.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31497 ATOM 31493 OW SOL 9974 0.410 15.790 67.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31498 ATOM 31494 HW1 SOL 9974 0.930 15.000 67.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31499 ATOM 31495 HW2 SOL 9974 1.030 16.440 67.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31500 ATOM 31496 OW SOL 9975 67.580 15.660 68.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31501 ATOM 31497 HW1 SOL 9975 68.150 16.050 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31502 ATOM 31498 HW2 SOL 9975 68.160 15.240 68.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31503 ATOM 31499 OW SOL 9976 56.180 8.680 65.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31504 ATOM 31500 HW1 SOL 9976 56.010 8.670 66.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31505 ATOM 31501 HW2 SOL 9976 55.650 9.410 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31506 ATOM 31502 OW SOL 9977 65.790 18.180 61.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31507 ATOM 31503 HW1 SOL 9977 65.960 18.830 61.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31508 ATOM 31504 HW2 SOL 9977 66.180 17.290 61.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31509 ATOM 31505 OW SOL 9978 67.960 7.570 62.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31510 ATOM 31506 HW1 SOL 9978 68.360 8.320 63.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31511 ATOM 31507 HW2 SOL 9978 68.490 7.420 62.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31512 ATOM 31508 OW SOL 9979 60.790 12.160 72.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31513 ATOM 31509 HW1 SOL 9979 60.510 12.720 72.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31514 ATOM 31510 HW2 SOL 9979 60.610 11.200 72.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31515 ATOM 31511 OW SOL 9980 62.070 15.360 57.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31516 ATOM 31512 HW1 SOL 9980 62.530 15.450 56.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31517 ATOM 31513 HW2 SOL 9980 61.080 15.250 57.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31518 ATOM 31514 OW SOL 9981 55.930 1.170 61.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31519 ATOM 31515 HW1 SOL 9981 55.910 1.940 62.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31520 ATOM 31516 HW2 SOL 9981 55.800 0.310 62.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31521 ATOM 31517 OW SOL 9982 66.530 13.880 57.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31522 ATOM 31518 HW1 SOL 9982 66.600 12.900 57.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31523 ATOM 31519 HW2 SOL 9982 66.470 14.010 56.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31524 ATOM 31520 OW SOL 9983 62.440 9.100 68.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31525 ATOM 31521 HW1 SOL 9983 61.650 9.670 68.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31526 ATOM 31522 HW2 SOL 9983 63.020 9.570 69.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31527 ATOM 31523 OW SOL 9984 65.230 8.110 57.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31528 ATOM 31524 HW1 SOL 9984 65.560 8.570 56.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31529 ATOM 31525 HW2 SOL 9984 65.950 7.510 57.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31530 ATOM 31526 OW SOL 9985 68.240 17.930 54.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31531 ATOM 31527 HW1 SOL 9985 67.900 17.570 54.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31532 ATOM 31528 HW2 SOL 9985 69.220 17.760 55.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31533 ATOM 31529 OW SOL 9986 56.920 13.280 72.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31534 ATOM 31530 HW1 SOL 9986 57.350 13.960 71.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31535 ATOM 31531 HW2 SOL 9986 56.540 12.540 71.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31536 ATOM 31532 OW SOL 9987 65.730 9.400 62.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31537 ATOM 31533 HW1 SOL 9987 66.410 8.700 63.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31538 ATOM 31534 HW2 SOL 9987 66.040 9.930 62.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31539 ATOM 31535 OW SOL 9988 66.850 1.650 65.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31540 ATOM 31536 HW1 SOL 9988 66.290 1.460 64.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31541 ATOM 31537 HW2 SOL 9988 67.170 0.790 65.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31542 ATOM 31538 OW SOL 9989 63.390 14.850 63.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31543 ATOM 31539 HW1 SOL 9989 64.070 14.410 62.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31544 ATOM 31540 HW2 SOL 9989 62.570 15.060 62.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31545 ATOM 31541 OW SOL 9990 58.820 12.930 58.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31546 ATOM 31542 HW1 SOL 9990 57.950 12.700 58.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31547 ATOM 31543 HW2 SOL 9990 58.920 13.930 58.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31548 ATOM 31544 OW SOL 9991 55.310 8.670 72.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31549 ATOM 31545 HW1 SOL 9991 55.660 7.880 71.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31550 ATOM 31546 HW2 SOL 9991 54.770 8.370 72.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31551 ATOM 31547 OW SOL 9992 61.650 72.500 69.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31552 ATOM 31548 HW1 SOL 9992 62.440 71.910 69.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31553 ATOM 31549 HW2 SOL 9992 61.510 72.620 70.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31554 ATOM 31550 OW SOL 9993 57.120 4.180 54.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31555 ATOM 31551 HW1 SOL 9993 56.600 3.630 55.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31556 ATOM 31552 HW2 SOL 9993 56.600 5.000 54.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31557 ATOM 31553 OW SOL 9994 67.740 10.210 71.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31558 ATOM 31554 HW1 SOL 9994 67.290 9.610 70.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31559 ATOM 31555 HW2 SOL 9994 68.550 10.630 71.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31560 ATOM 31556 OW SOL 9995 55.420 2.750 55.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31561 ATOM 31557 HW1 SOL 9995 54.660 3.260 56.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31562 ATOM 31558 HW2 SOL 9995 55.610 1.950 56.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31563 ATOM 31559 OW SOL 9996 64.980 11.030 57.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31564 ATOM 31560 HW1 SOL 9996 64.280 11.500 58.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31565 ATOM 31561 HW2 SOL 9996 64.940 10.050 58.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31566 ATOM 31562 OW SOL 9997 60.780 7.020 68.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31567 ATOM 31563 HW1 SOL 9997 61.190 7.920 68.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31568 ATOM 31564 HW2 SOL 9997 61.490 6.380 69.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31569 ATOM 31565 OW SOL 9998 70.060 17.900 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31570 ATOM 31566 HW1 SOL 9998 69.190 18.270 66.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31571 ATOM 31567 HW2 SOL 9998 70.040 16.900 67.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31572 ATOM 31568 OW SOL 9999 59.930 6.370 0.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31573 ATOM 31569 HW1 SOL 9999 59.320 6.840 1.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31574 ATOM 31570 HW2 SOL 9999 60.880 6.620 1.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31575 ATOM 31571 OW SOL 0 58.630 18.190 72.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31576 ATOM 31572 HW1 SOL 0 57.640 18.330 72.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31577 ATOM 31573 HW2 SOL 0 58.970 18.010 73.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31578 ATOM 31574 OW SOL 1 71.200 9.230 66.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31579 ATOM 31575 HW1 SOL 1 70.370 8.730 66.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31580 ATOM 31576 HW2 SOL 1 71.010 10.220 66.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31581 ATOM 31577 OW SOL 2 66.250 1.470 59.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31582 ATOM 31578 HW1 SOL 2 67.230 1.510 59.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31583 ATOM 31579 HW2 SOL 2 66.070 1.780 60.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31584 ATOM 31580 OW SOL 3 60.170 6.480 62.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31585 ATOM 31581 HW1 SOL 3 61.150 6.700 62.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31586 ATOM 31582 HW2 SOL 3 60.000 5.770 61.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31587 ATOM 31583 OW SOL 4 70.130 10.990 70.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31588 ATOM 31584 HW1 SOL 4 70.280 11.900 70.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31589 ATOM 31585 HW2 SOL 4 71.010 10.560 69.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31590 ATOM 31586 OW SOL 5 62.910 12.860 58.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31591 ATOM 31587 HW1 SOL 5 62.720 12.530 59.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31592 ATOM 31588 HW2 SOL 5 62.340 13.660 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31593 ATOM 31589 OW SOL 6 60.180 16.950 66.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31594 ATOM 31590 HW1 SOL 6 60.330 17.320 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31595 ATOM 31591 HW2 SOL 6 61.030 16.520 66.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31596 ATOM 31592 OW SOL 7 64.340 5.630 64.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31597 ATOM 31593 HW1 SOL 7 64.030 4.690 64.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31598 ATOM 31594 HW2 SOL 7 63.940 5.960 65.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31599 ATOM 31595 OW SOL 8 66.170 8.960 55.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31600 ATOM 31596 HW1 SOL 8 65.590 9.660 54.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31601 ATOM 31597 HW2 SOL 8 66.190 8.160 54.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31602 ATOM 31598 OW SOL 9 72.040 15.000 63.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31603 ATOM 31599 HW1 SOL 9 71.190 15.100 62.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31604 ATOM 31600 HW2 SOL 9 71.900 14.360 64.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31605 ATOM 31601 OW SOL 10 60.770 12.020 62.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31606 ATOM 31602 HW1 SOL 10 60.280 11.460 62.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31607 ATOM 31603 HW2 SOL 10 60.360 11.880 61.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31608 ATOM 31604 OW SOL 11 59.970 13.990 1.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31609 ATOM 31605 HW1 SOL 11 59.040 14.020 1.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31610 ATOM 31606 HW2 SOL 11 60.170 14.830 0.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31611 ATOM 31607 OW SOL 12 70.810 2.050 67.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31612 ATOM 31608 HW1 SOL 12 71.240 2.550 67.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31613 ATOM 31609 HW2 SOL 12 69.920 1.700 67.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31614 ATOM 31610 OW SOL 13 57.890 2.920 60.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31615 ATOM 31611 HW1 SOL 13 57.700 2.190 60.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31616 ATOM 31612 HW2 SOL 13 57.100 3.030 61.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31617 ATOM 31613 OW SOL 14 59.030 3.280 67.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31618 ATOM 31614 HW1 SOL 14 59.560 2.430 67.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31619 ATOM 31615 HW2 SOL 14 58.230 3.200 66.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31620 ATOM 31616 OW SOL 15 62.180 16.390 65.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31621 ATOM 31617 HW1 SOL 15 61.520 16.920 64.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31622 ATOM 31618 HW2 SOL 15 62.990 16.200 64.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31623 ATOM 31619 OW SOL 16 68.460 6.080 68.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31624 ATOM 31620 HW1 SOL 16 67.610 5.610 68.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31625 ATOM 31621 HW2 SOL 16 68.560 6.100 69.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31626 ATOM 31622 OW SOL 17 67.620 71.670 65.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31627 ATOM 31623 HW1 SOL 17 67.270 70.740 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31628 ATOM 31624 HW2 SOL 17 68.030 72.040 65.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31629 ATOM 31625 OW SOL 18 63.180 11.790 61.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31630 ATOM 31626 HW1 SOL 18 63.340 10.810 61.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31631 ATOM 31627 HW2 SOL 18 62.310 11.960 61.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31632 ATOM 31628 OW SOL 19 58.910 14.920 68.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31633 ATOM 31629 HW1 SOL 19 59.380 15.570 67.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31634 ATOM 31630 HW2 SOL 19 59.570 14.520 68.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31635 ATOM 31631 OW SOL 20 69.490 0.190 55.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31636 ATOM 31632 HW1 SOL 20 68.890 -0.590 55.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31637 ATOM 31633 HW2 SOL 20 69.000 1.040 56.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31638 ATOM 31634 OW SOL 21 66.870 2.980 62.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31639 ATOM 31635 HW1 SOL 21 66.640 3.950 62.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31640 ATOM 31636 HW2 SOL 21 67.860 2.870 62.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31641 ATOM 31637 OW SOL 22 70.070 4.270 65.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31642 ATOM 31638 HW1 SOL 22 70.420 3.520 66.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31643 ATOM 31639 HW2 SOL 22 69.070 4.250 65.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31644 ATOM 31640 OW SOL 23 57.140 9.640 58.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31645 ATOM 31641 HW1 SOL 23 58.070 9.330 58.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31646 ATOM 31642 HW2 SOL 23 56.650 9.770 58.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31647 ATOM 31643 OW SOL 24 63.650 15.900 59.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31648 ATOM 31644 HW1 SOL 24 63.040 15.630 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31649 ATOM 31645 HW2 SOL 24 63.290 16.720 60.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31650 ATOM 31646 OW SOL 25 57.200 21.960 0.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31651 ATOM 31647 HW1 SOL 25 57.720 22.590 1.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31652 ATOM 31648 HW2 SOL 25 57.830 21.460 0.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31653 ATOM 31649 OW SOL 26 56.540 21.680 10.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31654 ATOM 31650 HW1 SOL 26 57.070 21.370 11.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31655 ATOM 31651 HW2 SOL 26 55.830 21.010 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31656 ATOM 31652 OW SOL 27 52.640 21.840 6.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31657 ATOM 31653 HW1 SOL 27 51.890 21.640 7.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31658 ATOM 31654 HW2 SOL 27 52.280 22.300 5.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31659 ATOM 31655 OW SOL 28 59.810 31.440 12.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31660 ATOM 31656 HW1 SOL 28 60.080 31.000 11.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31661 ATOM 31657 HW2 SOL 28 59.980 32.430 12.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31662 ATOM 31658 OW SOL 29 70.360 34.610 6.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31663 ATOM 31659 HW1 SOL 29 69.570 34.130 7.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31664 ATOM 31660 HW2 SOL 29 70.230 34.770 5.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31665 ATOM 31661 OW SOL 30 66.540 24.860 5.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31666 ATOM 31662 HW1 SOL 30 66.970 25.740 5.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31667 ATOM 31663 HW2 SOL 30 66.190 24.490 6.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31668 ATOM 31664 OW SOL 31 70.960 22.710 2.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31669 ATOM 31665 HW1 SOL 31 70.100 23.150 2.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31670 ATOM 31666 HW2 SOL 31 70.800 21.740 2.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31671 ATOM 31667 OW SOL 32 63.240 29.700 10.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31672 ATOM 31668 HW1 SOL 32 63.110 29.750 11.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31673 ATOM 31669 HW2 SOL 32 63.010 30.580 10.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31674 ATOM 31670 OW SOL 33 62.860 25.190 20.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31675 ATOM 31671 HW1 SOL 33 62.500 25.550 21.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31676 ATOM 31672 HW2 SOL 33 63.280 25.940 20.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31677 ATOM 31673 OW SOL 34 62.210 27.180 7.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31678 ATOM 31674 HW1 SOL 34 63.070 27.580 8.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31679 ATOM 31675 HW2 SOL 34 61.580 27.900 7.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31680 ATOM 31676 OW SOL 35 62.130 29.620 18.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31681 ATOM 31677 HW1 SOL 35 62.770 30.260 19.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31682 ATOM 31678 HW2 SOL 35 61.610 30.100 17.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31683 ATOM 31679 OW SOL 36 57.100 32.050 9.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31684 ATOM 31680 HW1 SOL 36 56.940 31.910 10.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31685 ATOM 31681 HW2 SOL 36 58.040 32.360 9.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31686 ATOM 31682 OW SOL 37 0.300 30.840 16.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31687 ATOM 31683 HW1 SOL 37 0.400 30.280 15.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31688 ATOM 31684 HW2 SOL 37 0.340 31.810 15.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31689 ATOM 31685 OW SOL 38 61.100 23.020 15.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31690 ATOM 31686 HW1 SOL 38 61.610 22.200 15.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31691 ATOM 31687 HW2 SOL 38 61.730 23.800 15.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31692 ATOM 31688 OW SOL 39 58.210 34.560 4.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31693 ATOM 31689 HW1 SOL 39 58.300 35.450 4.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31694 ATOM 31690 HW2 SOL 39 59.020 34.370 3.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31695 ATOM 31691 OW SOL 40 66.740 31.250 16.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31696 ATOM 31692 HW1 SOL 40 67.080 30.750 16.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31697 ATOM 31693 HW2 SOL 40 66.740 30.660 17.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31698 ATOM 31694 OW SOL 41 57.320 32.980 6.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31699 ATOM 31695 HW1 SOL 41 57.480 33.510 5.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31700 ATOM 31696 HW2 SOL 41 57.540 33.530 6.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31701 ATOM 31697 OW SOL 42 60.200 29.290 10.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31702 ATOM 31698 HW1 SOL 42 61.120 29.160 10.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31703 ATOM 31699 HW2 SOL 42 59.670 28.450 10.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31704 ATOM 31700 OW SOL 43 60.830 35.550 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31705 ATOM 31701 HW1 SOL 43 60.140 35.140 15.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31706 ATOM 31702 HW2 SOL 43 61.270 36.310 15.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31707 ATOM 31703 OW SOL 44 60.490 26.060 2.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31708 ATOM 31704 HW1 SOL 44 59.780 25.500 1.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31709 ATOM 31705 HW2 SOL 44 61.390 25.680 2.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31710 ATOM 31706 OW SOL 45 71.180 18.460 15.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31711 ATOM 31707 HW1 SOL 45 71.410 19.140 14.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31712 ATOM 31708 HW2 SOL 45 70.320 18.010 15.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31713 ATOM 31709 OW SOL 46 55.750 23.160 5.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31714 ATOM 31710 HW1 SOL 46 55.270 22.480 6.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31715 ATOM 31711 HW2 SOL 46 55.210 23.990 5.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31716 ATOM 31712 OW SOL 47 57.480 32.630 0.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31717 ATOM 31713 HW1 SOL 47 57.450 31.660 1.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31718 ATOM 31714 HW2 SOL 47 56.800 33.120 1.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31719 ATOM 31715 OW SOL 48 71.010 25.520 5.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31720 ATOM 31716 HW1 SOL 48 71.650 25.930 5.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31721 ATOM 31717 HW2 SOL 48 71.460 25.440 4.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31722 ATOM 31718 OW SOL 49 56.550 26.270 17.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31723 ATOM 31719 HW1 SOL 49 56.620 27.270 17.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31724 ATOM 31720 HW2 SOL 49 56.160 26.010 16.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31725 ATOM 31721 OW SOL 50 60.910 32.160 7.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31726 ATOM 31722 HW1 SOL 50 60.770 31.180 7.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31727 ATOM 31723 HW2 SOL 50 61.410 32.540 6.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31728 ATOM 31724 OW SOL 51 67.500 30.380 14.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31729 ATOM 31725 HW1 SOL 51 67.500 29.810 13.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31730 ATOM 31726 HW2 SOL 51 68.430 30.670 14.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31731 ATOM 31727 OW SOL 52 63.860 19.200 5.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31732 ATOM 31728 HW1 SOL 52 64.400 19.300 4.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31733 ATOM 31729 HW2 SOL 52 63.590 20.110 5.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31734 ATOM 31730 OW SOL 53 58.350 27.300 12.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31735 ATOM 31731 HW1 SOL 53 58.430 26.330 13.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31736 ATOM 31732 HW2 SOL 53 58.100 27.420 11.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31737 ATOM 31733 OW SOL 54 0.160 28.460 1.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31738 ATOM 31734 HW1 SOL 54 0.680 28.270 0.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31739 ATOM 31735 HW2 SOL 54 0.560 29.240 1.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31740 ATOM 31736 OW SOL 55 66.360 35.620 18.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31741 ATOM 31737 HW1 SOL 55 66.550 35.840 17.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31742 ATOM 31738 HW2 SOL 55 66.880 34.810 18.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31743 ATOM 31739 OW SOL 56 58.970 22.290 18.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31744 ATOM 31740 HW1 SOL 56 59.130 23.260 18.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31745 ATOM 31741 HW2 SOL 56 58.330 22.180 17.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31746 ATOM 31742 OW SOL 57 68.560 32.850 7.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31747 ATOM 31743 HW1 SOL 57 68.770 32.500 8.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31748 ATOM 31744 HW2 SOL 57 68.570 32.100 7.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31749 ATOM 31745 OW SOL 58 72.300 36.730 6.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31750 ATOM 31746 HW1 SOL 58 72.470 36.940 5.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31751 ATOM 31747 HW2 SOL 58 71.750 35.900 6.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31752 ATOM 31748 OW SOL 59 59.870 23.880 4.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31753 ATOM 31749 HW1 SOL 59 59.370 23.310 5.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31754 ATOM 31750 HW2 SOL 59 60.080 24.760 5.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31755 ATOM 31751 OW SOL 60 67.810 22.100 8.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31756 ATOM 31752 HW1 SOL 60 67.940 21.120 8.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31757 ATOM 31753 HW2 SOL 60 68.310 22.380 9.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31758 ATOM 31754 OW SOL 61 0.360 37.380 4.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31759 ATOM 31755 HW1 SOL 61 1.300 37.720 4.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31760 ATOM 31756 HW2 SOL 61 -0.200 37.960 3.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31761 ATOM 31757 OW SOL 62 62.620 24.370 13.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31762 ATOM 31758 HW1 SOL 62 63.460 24.100 13.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31763 ATOM 31759 HW2 SOL 62 62.620 24.020 12.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31764 ATOM 31760 OW SOL 63 68.970 23.100 16.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31765 ATOM 31761 HW1 SOL 63 69.140 23.490 17.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31766 ATOM 31762 HW2 SOL 63 69.320 22.160 16.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31767 ATOM 31763 OW SOL 64 65.660 27.100 16.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31768 ATOM 31764 HW1 SOL 64 66.140 27.260 17.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31769 ATOM 31765 HW2 SOL 64 66.160 26.420 16.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31770 ATOM 31766 OW SOL 65 65.230 23.690 11.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31771 ATOM 31767 HW1 SOL 65 64.480 23.200 11.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31772 ATOM 31768 HW2 SOL 65 65.390 24.550 11.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31773 ATOM 31769 OW SOL 66 64.290 24.550 3.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31774 ATOM 31770 HW1 SOL 66 65.150 24.750 4.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31775 ATOM 31771 HW2 SOL 66 63.680 24.050 4.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31776 ATOM 31772 OW SOL 67 56.320 27.000 7.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31777 ATOM 31773 HW1 SOL 67 57.290 26.810 7.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31778 ATOM 31774 HW2 SOL 67 56.190 27.990 7.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31779 ATOM 31775 OW SOL 68 54.160 37.430 15.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31780 ATOM 31776 HW1 SOL 68 53.840 37.160 16.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31781 ATOM 31777 HW2 SOL 68 53.410 37.350 14.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31782 ATOM 31778 OW SOL 69 65.580 18.570 0.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31783 ATOM 31779 HW1 SOL 69 66.420 18.250 -0.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31784 ATOM 31780 HW2 SOL 69 64.840 17.930 0.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31785 ATOM 31781 OW SOL 70 1.770 24.110 18.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31786 ATOM 31782 HW1 SOL 70 1.190 24.920 18.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31787 ATOM 31783 HW2 SOL 70 1.330 23.360 18.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31788 ATOM 31784 OW SOL 71 70.300 29.470 2.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31789 ATOM 31785 HW1 SOL 71 70.440 28.830 1.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31790 ATOM 31786 HW2 SOL 71 69.340 29.470 2.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31791 ATOM 31787 OW SOL 72 60.210 20.150 9.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31792 ATOM 31788 HW1 SOL 72 60.370 20.430 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31793 ATOM 31789 HW2 SOL 72 60.470 20.890 9.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31794 ATOM 31790 OW SOL 73 63.970 30.710 4.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31795 ATOM 31791 HW1 SOL 73 63.570 31.570 4.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31796 ATOM 31792 HW2 SOL 73 64.500 30.300 5.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31797 ATOM 31793 OW SOL 74 58.910 35.790 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31798 ATOM 31794 HW1 SOL 74 59.090 34.870 8.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31799 ATOM 31795 HW2 SOL 74 59.670 36.390 8.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31800 ATOM 31796 OW SOL 75 70.570 29.060 8.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31801 ATOM 31797 HW1 SOL 75 70.150 29.480 8.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31802 ATOM 31798 HW2 SOL 75 70.450 29.660 9.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31803 ATOM 31799 OW SOL 76 68.150 34.020 15.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31804 ATOM 31800 HW1 SOL 76 67.670 33.140 15.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31805 ATOM 31801 HW2 SOL 76 69.020 33.930 15.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31806 ATOM 31802 OW SOL 77 58.100 27.110 3.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31807 ATOM 31803 HW1 SOL 77 59.070 26.990 3.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31808 ATOM 31804 HW2 SOL 77 57.750 26.270 3.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31809 ATOM 31805 OW SOL 78 68.710 26.530 5.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31810 ATOM 31806 HW1 SOL 78 68.830 26.560 6.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31811 ATOM 31807 HW2 SOL 78 69.570 26.250 5.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31812 ATOM 31808 OW SOL 79 61.130 31.430 16.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31813 ATOM 31809 HW1 SOL 79 60.420 31.320 15.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31814 ATOM 31810 HW2 SOL 79 60.700 31.720 17.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31815 ATOM 31811 OW SOL 80 66.450 33.940 2.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31816 ATOM 31812 HW1 SOL 80 65.490 33.880 1.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31817 ATOM 31813 HW2 SOL 80 67.030 33.680 1.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31818 ATOM 31814 OW SOL 81 56.470 22.330 15.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31819 ATOM 31815 HW1 SOL 81 57.100 23.080 15.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31820 ATOM 31816 HW2 SOL 81 56.040 21.990 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31821 ATOM 31817 OW SOL 82 60.780 34.570 2.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31822 ATOM 31818 HW1 SOL 82 61.130 35.470 3.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31823 ATOM 31819 HW2 SOL 82 61.220 34.290 2.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31824 ATOM 31820 OW SOL 83 68.440 19.070 3.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31825 ATOM 31821 HW1 SOL 83 68.800 18.210 3.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31826 ATOM 31822 HW2 SOL 83 69.190 19.620 4.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31827 ATOM 31823 OW SOL 84 56.600 36.680 11.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31828 ATOM 31824 HW1 SOL 84 57.010 35.820 11.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31829 ATOM 31825 HW2 SOL 84 56.690 36.770 10.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31830 ATOM 31826 OW SOL 85 64.900 35.200 9.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31831 ATOM 31827 HW1 SOL 85 65.320 34.770 8.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31832 ATOM 31828 HW2 SOL 85 64.910 34.550 9.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31833 ATOM 31829 OW SOL 86 58.730 23.570 2.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31834 ATOM 31830 HW1 SOL 86 59.190 23.430 3.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31835 ATOM 31831 HW2 SOL 86 58.190 24.410 2.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31836 ATOM 31832 OW SOL 87 69.770 20.470 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31837 ATOM 31833 HW1 SOL 87 69.760 20.500 18.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31838 ATOM 31834 HW2 SOL 87 70.380 19.740 16.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31839 ATOM 31835 OW SOL 88 61.430 18.520 0.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31840 ATOM 31836 HW1 SOL 88 62.270 18.030 0.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31841 ATOM 31837 HW2 SOL 88 60.670 17.880 0.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31842 ATOM 31838 OW SOL 89 62.450 20.800 16.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31843 ATOM 31839 HW1 SOL 89 63.260 21.060 16.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31844 ATOM 31840 HW2 SOL 89 61.840 20.240 16.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31845 ATOM 31841 OW SOL 90 64.150 33.810 11.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31846 ATOM 31842 HW1 SOL 90 63.590 33.070 11.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31847 ATOM 31843 HW2 SOL 90 64.580 33.480 12.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31848 ATOM 31844 OW SOL 91 69.970 23.430 13.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31849 ATOM 31845 HW1 SOL 91 69.910 23.520 14.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31850 ATOM 31846 HW2 SOL 91 70.340 24.270 13.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31851 ATOM 31847 OW SOL 92 62.650 32.320 9.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31852 ATOM 31848 HW1 SOL 92 63.570 32.080 9.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31853 ATOM 31849 HW2 SOL 92 62.050 32.380 8.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31854 ATOM 31850 OW SOL 93 65.670 23.900 7.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31855 ATOM 31851 HW1 SOL 93 65.190 23.100 7.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31856 ATOM 31852 HW2 SOL 93 66.540 23.610 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31857 ATOM 31853 OW SOL 94 60.520 20.090 5.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31858 ATOM 31854 HW1 SOL 94 59.670 20.590 5.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31859 ATOM 31855 HW2 SOL 94 60.770 20.180 4.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31860 ATOM 31856 OW SOL 95 67.970 29.150 71.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31861 ATOM 31857 HW1 SOL 95 68.740 28.550 71.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31862 ATOM 31858 HW2 SOL 95 67.250 29.030 72.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31863 ATOM 31859 OW SOL 96 54.830 16.290 3.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31864 ATOM 31860 HW1 SOL 96 54.500 16.580 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31865 ATOM 31861 HW2 SOL 96 54.530 16.950 4.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31866 ATOM 31862 OW SOL 97 64.810 20.490 2.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31867 ATOM 31863 HW1 SOL 97 64.840 19.800 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31868 ATOM 31864 HW2 SOL 97 65.750 20.720 2.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31869 ATOM 31865 OW SOL 98 67.210 25.070 15.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31870 ATOM 31866 HW1 SOL 98 67.630 24.260 15.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31871 ATOM 31867 HW2 SOL 98 67.810 25.410 14.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31872 ATOM 31868 OW SOL 99 66.100 33.730 7.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31873 ATOM 31869 HW1 SOL 99 66.040 33.710 6.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31874 ATOM 31870 HW2 SOL 99 67.060 33.600 7.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31875 ATOM 31871 OW SOL 100 60.380 29.350 7.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31876 ATOM 31872 HW1 SOL 100 60.090 29.290 8.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31877 ATOM 31873 HW2 SOL 100 59.590 29.220 6.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31878 ATOM 31874 OW SOL 101 67.500 37.450 5.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31879 ATOM 31875 HW1 SOL 101 68.300 37.360 4.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31880 ATOM 31876 HW2 SOL 101 67.680 36.950 6.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31881 ATOM 31877 OW SOL 102 62.460 21.610 2.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31882 ATOM 31878 HW1 SOL 102 62.350 22.410 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31883 ATOM 31879 HW2 SOL 102 63.380 21.230 2.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31884 ATOM 31880 OW SOL 103 55.380 25.880 15.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31885 ATOM 31881 HW1 SOL 103 55.670 25.220 14.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31886 ATOM 31882 HW2 SOL 103 55.130 26.730 14.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31887 ATOM 31883 OW SOL 104 60.980 20.950 12.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31888 ATOM 31884 HW1 SOL 104 61.810 21.150 12.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31889 ATOM 31885 HW2 SOL 104 60.180 21.190 12.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31890 ATOM 31886 OW SOL 105 64.110 21.810 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31891 ATOM 31887 HW1 SOL 105 63.570 22.360 6.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31892 ATOM 31888 HW2 SOL 105 63.520 21.450 7.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31893 ATOM 31889 OW SOL 106 65.020 17.460 7.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31894 ATOM 31890 HW1 SOL 106 64.520 18.010 6.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31895 ATOM 31891 HW2 SOL 106 64.580 17.510 8.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31896 ATOM 31892 OW SOL 107 69.450 30.500 6.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31897 ATOM 31893 HW1 SOL 107 68.930 29.770 6.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31898 ATOM 31894 HW2 SOL 107 70.400 30.470 6.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31899 ATOM 31895 OW SOL 108 69.680 26.580 8.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31900 ATOM 31896 HW1 SOL 108 69.710 26.010 9.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31901 ATOM 31897 HW2 SOL 108 70.140 27.450 8.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31902 ATOM 31898 OW SOL 109 1.010 25.250 4.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31903 ATOM 31899 HW1 SOL 109 1.310 24.560 4.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31904 ATOM 31900 HW2 SOL 109 0.820 24.830 3.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31905 ATOM 31901 OW SOL 110 60.060 30.790 3.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31906 ATOM 31902 HW1 SOL 110 59.430 30.540 4.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31907 ATOM 31903 HW2 SOL 110 59.870 30.230 3.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31908 ATOM 31904 OW SOL 111 66.130 21.350 72.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31909 ATOM 31905 HW1 SOL 111 66.290 21.950 72.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31910 ATOM 31906 HW2 SOL 111 66.190 20.400 72.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31911 ATOM 31907 OW SOL 112 60.720 19.780 2.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31912 ATOM 31908 HW1 SOL 112 61.070 18.960 2.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31913 ATOM 31909 HW2 SOL 112 61.350 20.540 2.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31914 ATOM 31910 OW SOL 113 65.700 32.250 13.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31915 ATOM 31911 HW1 SOL 113 64.870 32.240 14.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31916 ATOM 31912 HW2 SOL 113 66.320 31.530 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31917 ATOM 31913 OW SOL 114 72.380 36.450 15.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31918 ATOM 31914 HW1 SOL 114 72.200 36.690 14.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31919 ATOM 31915 HW2 SOL 114 71.510 36.250 16.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31920 ATOM 31916 OW SOL 115 65.880 31.030 11.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31921 ATOM 31917 HW1 SOL 115 65.880 31.720 12.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31922 ATOM 31918 HW2 SOL 115 65.570 31.430 10.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31923 ATOM 31919 OW SOL 116 70.880 31.680 12.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31924 ATOM 31920 HW1 SOL 116 71.370 30.890 13.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31925 ATOM 31921 HW2 SOL 116 71.460 32.490 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31926 ATOM 31922 OW SOL 117 66.960 19.680 13.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31927 ATOM 31923 HW1 SOL 117 67.010 20.640 13.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31928 ATOM 31924 HW2 SOL 117 66.830 19.610 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31929 ATOM 31925 OW SOL 118 63.510 27.210 18.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31930 ATOM 31926 HW1 SOL 118 62.940 27.980 18.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31931 ATOM 31927 HW2 SOL 118 64.060 26.900 17.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31932 ATOM 31928 OW SOL 119 61.580 28.110 0.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31933 ATOM 31929 HW1 SOL 119 60.810 28.610 1.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31934 ATOM 31930 HW2 SOL 119 61.690 27.240 1.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31935 ATOM 31931 OW SOL 120 59.380 24.420 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31936 ATOM 31932 HW1 SOL 120 59.960 23.790 13.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31937 ATOM 31933 HW2 SOL 120 58.440 24.100 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31938 ATOM 31934 OW SOL 121 67.400 22.260 13.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31939 ATOM 31935 HW1 SOL 121 68.040 23.010 13.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31940 ATOM 31936 HW2 SOL 121 66.480 22.620 12.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31941 ATOM 31937 OW SOL 122 55.850 35.430 14.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31942 ATOM 31938 HW1 SOL 122 55.440 36.250 15.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31943 ATOM 31939 HW2 SOL 122 56.040 35.580 13.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31944 ATOM 31940 OW SOL 123 58.390 28.970 5.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31945 ATOM 31941 HW1 SOL 123 57.560 29.130 4.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31946 ATOM 31942 HW2 SOL 123 58.520 27.990 5.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31947 ATOM 31943 OW SOL 124 60.980 21.920 7.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31948 ATOM 31944 HW1 SOL 124 61.400 22.830 7.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31949 ATOM 31945 HW2 SOL 124 61.060 21.500 7.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31950 ATOM 31946 OW SOL 125 67.340 30.100 2.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31951 ATOM 31947 HW1 SOL 125 66.880 30.080 2.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31952 ATOM 31948 HW2 SOL 125 67.000 30.870 3.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31953 ATOM 31949 OW SOL 126 69.400 31.260 10.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31954 ATOM 31950 HW1 SOL 126 70.050 31.490 11.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31955 ATOM 31951 HW2 SOL 126 68.770 30.560 10.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31956 ATOM 31952 OW SOL 127 70.930 22.850 6.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31957 ATOM 31953 HW1 SOL 127 69.950 22.720 5.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31958 ATOM 31954 HW2 SOL 127 71.170 23.780 5.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31959 ATOM 31955 OW SOL 128 57.470 34.270 12.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31960 ATOM 31956 HW1 SOL 128 57.090 33.360 12.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31961 ATOM 31957 HW2 SOL 128 58.460 34.240 12.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31962 ATOM 31958 OW SOL 129 60.180 27.320 16.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31963 ATOM 31959 HW1 SOL 129 61.070 26.890 15.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31964 ATOM 31960 HW2 SOL 129 60.100 28.090 15.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31965 ATOM 31961 OW SOL 130 72.380 25.860 17.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31966 ATOM 31962 HW1 SOL 130 71.500 26.310 18.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31967 ATOM 31963 HW2 SOL 130 72.780 26.190 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31968 ATOM 31964 OW SOL 131 65.870 18.210 18.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31969 ATOM 31965 HW1 SOL 131 66.200 18.900 17.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31970 ATOM 31966 HW2 SOL 131 66.590 17.540 18.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31971 ATOM 31967 OW SOL 132 60.060 20.030 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31972 ATOM 31968 HW1 SOL 132 59.300 19.400 17.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31973 ATOM 31969 HW2 SOL 132 59.690 20.890 17.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31974 ATOM 31970 OW SOL 133 60.700 25.420 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31975 ATOM 31971 HW1 SOL 133 61.270 26.100 11.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31976 ATOM 31972 HW2 SOL 133 60.190 24.890 11.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31977 ATOM 31973 OW SOL 134 67.510 26.420 11.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31978 ATOM 31974 HW1 SOL 134 66.710 26.520 10.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31979 ATOM 31975 HW2 SOL 134 68.220 25.900 10.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31980 ATOM 31976 OW SOL 135 67.460 23.210 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31981 ATOM 31977 HW1 SOL 135 67.720 22.460 2.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31982 ATOM 31978 HW2 SOL 135 66.630 23.650 1.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31983 ATOM 31979 OW SOL 136 58.270 21.420 13.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31984 ATOM 31980 HW1 SOL 136 57.710 21.610 13.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31985 ATOM 31981 HW2 SOL 136 58.300 20.430 12.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31986 ATOM 31982 OW SOL 137 56.760 31.680 12.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31987 ATOM 31983 HW1 SOL 137 57.560 31.200 12.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31988 ATOM 31984 HW2 SOL 137 56.040 31.690 13.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31989 ATOM 31985 OW SOL 138 62.190 24.170 8.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31990 ATOM 31986 HW1 SOL 138 63.070 24.240 7.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31991 ATOM 31987 HW2 SOL 138 61.860 25.080 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31992 ATOM 31988 OW SOL 139 57.300 19.730 7.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31993 ATOM 31989 HW1 SOL 139 56.530 20.260 7.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31994 ATOM 31990 HW2 SOL 139 57.620 19.100 7.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31995 ATOM 31991 OW SOL 140 70.450 20.670 4.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31996 ATOM 31992 HW1 SOL 140 71.380 20.330 4.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31997 ATOM 31993 HW2 SOL 140 70.510 21.540 4.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31998 ATOM 31994 OW SOL 141 64.960 25.650 9.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
31999 ATOM 31995 HW1 SOL 141 63.980 25.460 10.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32000 ATOM 31996 HW2 SOL 141 65.310 25.180 9.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32001 ATOM 31997 OW SOL 142 64.250 33.000 17.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32002 ATOM 31998 HW1 SOL 142 63.750 33.380 16.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32003 ATOM 31999 HW2 SOL 142 65.140 32.660 17.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32004 ATOM 32000 OW SOL 143 59.690 27.930 18.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32005 ATOM 32001 HW1 SOL 143 60.430 28.430 19.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32006 ATOM 32002 HW2 SOL 143 60.030 27.560 17.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32007 ATOM 32003 OW SOL 144 69.810 20.000 1.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32008 ATOM 32004 HW1 SOL 144 70.300 19.180 1.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32009 ATOM 32005 HW2 SOL 144 69.630 19.980 2.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32010 ATOM 32006 OW SOL 145 68.990 25.250 0.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32011 ATOM 32007 HW1 SOL 145 69.040 24.400 0.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32012 ATOM 32008 HW2 SOL 145 68.140 25.270 -0.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32013 ATOM 32009 OW SOL 146 65.040 31.580 8.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32014 ATOM 32010 HW1 SOL 146 65.200 30.820 8.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32015 ATOM 32011 HW2 SOL 146 65.480 32.410 8.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32016 ATOM 32012 OW SOL 147 58.670 25.860 8.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32017 ATOM 32013 HW1 SOL 147 59.340 26.130 9.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32018 ATOM 32014 HW2 SOL 147 58.270 24.980 8.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32019 ATOM 32015 OW SOL 148 57.670 23.330 9.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32020 ATOM 32016 HW1 SOL 148 57.270 22.630 9.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32021 ATOM 32017 HW2 SOL 148 58.420 22.930 8.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32022 ATOM 32018 OW SOL 149 64.860 22.540 17.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32023 ATOM 32019 HW1 SOL 149 64.080 22.880 18.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32024 ATOM 32020 HW2 SOL 149 65.710 22.810 18.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32025 ATOM 32021 OW SOL 150 66.950 20.250 16.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32026 ATOM 32022 HW1 SOL 150 66.420 21.020 17.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32027 ATOM 32023 HW2 SOL 150 67.910 20.520 16.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32028 ATOM 32024 OW SOL 151 55.990 30.850 2.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32029 ATOM 32025 HW1 SOL 151 55.350 31.430 1.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32030 ATOM 32026 HW2 SOL 151 55.640 29.910 2.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32031 ATOM 32027 OW SOL 152 56.280 36.660 8.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32032 ATOM 32028 HW1 SOL 152 56.010 35.720 8.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32033 ATOM 32029 HW2 SOL 152 57.240 36.690 8.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32034 ATOM 32030 OW SOL 153 59.580 33.340 9.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32035 ATOM 32031 HW1 SOL 153 60.320 33.730 9.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32036 ATOM 32032 HW2 SOL 153 59.950 32.770 8.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32037 ATOM 32033 OW SOL 154 62.270 26.920 11.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32038 ATOM 32034 HW1 SOL 154 62.930 27.630 12.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32039 ATOM 32035 HW2 SOL 154 62.270 26.210 12.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32040 ATOM 32036 OW SOL 155 55.390 24.950 8.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32041 ATOM 32037 HW1 SOL 155 55.800 25.690 8.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32042 ATOM 32038 HW2 SOL 155 56.070 24.240 9.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32043 ATOM 32039 OW SOL 156 58.430 24.230 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32044 ATOM 32040 HW1 SOL 156 59.350 23.860 15.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32045 ATOM 32041 HW2 SOL 156 58.470 25.120 16.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32046 ATOM 32042 OW SOL 157 68.890 28.120 16.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32047 ATOM 32043 HW1 SOL 157 69.510 28.750 15.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32048 ATOM 32044 HW2 SOL 157 68.560 27.450 15.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32049 ATOM 32045 OW SOL 158 62.460 23.030 5.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32050 ATOM 32046 HW1 SOL 158 62.460 22.560 4.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32051 ATOM 32047 HW2 SOL 158 61.570 23.440 5.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32052 ATOM 32048 OW SOL 159 57.330 32.720 17.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32053 ATOM 32049 HW1 SOL 159 56.710 32.910 18.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32054 ATOM 32050 HW2 SOL 159 58.270 32.680 17.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32055 ATOM 32051 OW SOL 160 62.650 22.960 10.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32056 ATOM 32052 HW1 SOL 160 62.090 22.220 11.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32057 ATOM 32053 HW2 SOL 160 62.120 23.460 10.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32058 ATOM 32054 OW SOL 161 65.940 36.300 15.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32059 ATOM 32055 HW1 SOL 161 66.720 35.690 15.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32060 ATOM 32056 HW2 SOL 161 66.110 37.150 15.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32061 ATOM 32057 OW SOL 162 56.440 19.700 3.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32062 ATOM 32058 HW1 SOL 162 57.120 19.170 3.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32063 ATOM 32059 HW2 SOL 162 56.890 20.300 2.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32064 ATOM 32060 OW SOL 163 56.520 28.930 14.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32065 ATOM 32061 HW1 SOL 163 56.830 28.890 15.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32066 ATOM 32062 HW2 SOL 163 57.170 28.440 13.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32067 ATOM 32063 OW SOL 164 68.110 29.100 11.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32068 ATOM 32064 HW1 SOL 164 68.090 28.110 11.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32069 ATOM 32065 HW2 SOL 164 67.180 29.460 11.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32070 ATOM 32066 OW SOL 165 70.200 27.830 0.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32071 ATOM 32067 HW1 SOL 165 71.200 27.920 0.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32072 ATOM 32068 HW2 SOL 165 69.970 26.870 0.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32073 ATOM 32069 OW SOL 166 71.930 35.370 11.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32074 ATOM 32070 HW1 SOL 166 72.440 35.550 10.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32075 ATOM 32071 HW2 SOL 166 72.310 34.570 12.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32076 ATOM 32072 OW SOL 167 67.410 35.500 12.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32077 ATOM 32073 HW1 SOL 167 68.020 34.980 12.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32078 ATOM 32074 HW2 SOL 167 67.950 36.110 13.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32079 ATOM 32075 OW SOL 168 57.420 28.030 10.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32080 ATOM 32076 HW1 SOL 168 57.570 28.750 9.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32081 ATOM 32077 HW2 SOL 168 56.470 27.730 10.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32082 ATOM 32078 OW SOL 169 63.720 34.940 15.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32083 ATOM 32079 HW1 SOL 169 63.030 35.660 15.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32084 ATOM 32080 HW2 SOL 169 64.610 35.360 15.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32085 ATOM 32081 OW SOL 170 63.460 16.670 0.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32086 ATOM 32082 HW1 SOL 170 62.690 16.160 -0.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32087 ATOM 32083 HW2 SOL 170 63.700 16.280 1.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32088 ATOM 32084 OW SOL 171 67.020 33.990 4.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32089 ATOM 32085 HW1 SOL 171 66.920 33.810 3.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32090 ATOM 32086 HW2 SOL 171 67.110 34.970 4.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32091 ATOM 32087 OW SOL 172 53.770 36.500 18.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32092 ATOM 32088 HW1 SOL 172 52.830 36.600 18.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32093 ATOM 32089 HW2 SOL 172 53.980 35.520 18.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32094 ATOM 32090 OW SOL 173 67.630 28.860 5.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32095 ATOM 32091 HW1 SOL 173 67.930 27.920 5.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32096 ATOM 32092 HW2 SOL 173 67.430 29.030 4.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32097 ATOM 32093 OW SOL 174 62.520 30.030 13.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32098 ATOM 32094 HW1 SOL 174 62.630 30.700 13.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32099 ATOM 32095 HW2 SOL 174 61.810 29.370 13.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32100 ATOM 32096 OW SOL 175 61.090 34.040 72.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32101 ATOM 32097 HW1 SOL 175 61.180 33.850 71.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32102 ATOM 32098 HW2 SOL 175 61.110 33.180 72.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32103 ATOM 32099 OW SOL 176 54.900 20.810 7.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32104 ATOM 32100 HW1 SOL 176 54.030 20.860 7.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32105 ATOM 32101 HW2 SOL 176 54.710 20.630 8.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32106 ATOM 32102 OW SOL 177 67.830 33.520 72.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32107 ATOM 32103 HW1 SOL 177 68.470 32.740 72.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32108 ATOM 32104 HW2 SOL 177 66.980 33.240 71.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32109 ATOM 32105 OW SOL 178 64.160 28.040 14.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32110 ATOM 32106 HW1 SOL 178 64.560 28.370 14.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32111 ATOM 32107 HW2 SOL 178 63.590 28.760 13.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32112 ATOM 32108 OW SOL 179 63.510 25.690 1.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32113 ATOM 32109 HW1 SOL 179 64.040 26.430 0.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32114 ATOM 32110 HW2 SOL 179 63.910 25.460 1.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32115 ATOM 32111 OW SOL 180 70.990 34.450 0.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32116 ATOM 32112 HW1 SOL 180 71.210 33.490 0.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32117 ATOM 32113 HW2 SOL 180 70.970 34.610 -0.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32118 ATOM 32114 OW SOL 181 59.870 29.310 13.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32119 ATOM 32115 HW1 SOL 181 59.710 30.260 13.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32120 ATOM 32116 HW2 SOL 181 59.460 28.690 13.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32121 ATOM 32117 OW SOL 182 65.210 29.620 6.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32122 ATOM 32118 HW1 SOL 182 64.960 29.140 7.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32123 ATOM 32119 HW2 SOL 182 66.150 29.380 6.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32124 ATOM 32120 OW SOL 183 68.960 19.500 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32125 ATOM 32121 HW1 SOL 183 69.790 20.050 8.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32126 ATOM 32122 HW2 SOL 183 69.220 18.590 8.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32127 ATOM 32123 OW SOL 184 61.640 32.110 1.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32128 ATOM 32124 HW1 SOL 184 62.330 31.400 1.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32129 ATOM 32125 HW2 SOL 184 60.920 31.990 2.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32130 ATOM 32126 OW SOL 185 56.170 30.840 5.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32131 ATOM 32127 HW1 SOL 185 56.180 30.890 4.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32132 ATOM 32128 HW2 SOL 185 56.400 31.730 5.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32133 ATOM 32129 OW SOL 186 57.500 29.110 16.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32134 ATOM 32130 HW1 SOL 186 57.190 29.950 17.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32135 ATOM 32131 HW2 SOL 186 58.260 28.720 17.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32136 ATOM 32132 OW SOL 187 63.220 21.340 13.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32137 ATOM 32133 HW1 SOL 187 63.740 22.190 13.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32138 ATOM 32134 HW2 SOL 187 63.090 20.990 14.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32139 ATOM 32135 OW SOL 188 54.400 22.760 0.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32140 ATOM 32136 HW1 SOL 188 55.310 22.450 1.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32141 ATOM 32137 HW2 SOL 188 53.730 22.430 1.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32142 ATOM 32138 OW SOL 189 68.760 26.320 13.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32143 ATOM 32139 HW1 SOL 189 68.070 26.260 13.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32144 ATOM 32140 HW2 SOL 189 69.670 26.190 13.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32145 ATOM 32141 OW SOL 190 53.310 17.860 72.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32146 ATOM 32142 HW1 SOL 190 52.370 17.680 72.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32147 ATOM 32143 HW2 SOL 190 53.510 17.300 71.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32148 ATOM 32144 OW SOL 191 65.830 30.500 0.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32149 ATOM 32145 HW1 SOL 191 65.460 30.640 -0.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32150 ATOM 32146 HW2 SOL 191 65.070 30.290 1.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32151 ATOM 32147 OW SOL 192 62.530 26.040 15.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32152 ATOM 32148 HW1 SOL 192 63.360 26.560 15.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32153 ATOM 32149 HW2 SOL 192 62.630 25.600 14.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32154 ATOM 32150 OW SOL 193 69.380 34.410 11.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32155 ATOM 32151 HW1 SOL 193 69.230 33.420 11.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32156 ATOM 32152 HW2 SOL 193 70.320 34.600 11.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32157 ATOM 32153 OW SOL 194 64.670 23.920 14.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32158 ATOM 32154 HW1 SOL 194 65.620 24.240 14.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32159 ATOM 32155 HW2 SOL 194 64.430 23.490 15.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32160 ATOM 32156 OW SOL 195 70.040 30.600 15.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32161 ATOM 32157 HW1 SOL 195 69.960 30.390 16.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32162 ATOM 32158 HW2 SOL 195 70.880 31.130 15.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32163 ATOM 32159 OW SOL 196 58.590 34.770 16.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32164 ATOM 32160 HW1 SOL 196 57.820 35.090 15.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32165 ATOM 32161 HW2 SOL 196 58.330 33.920 16.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32166 ATOM 32162 OW SOL 197 71.270 25.960 13.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32167 ATOM 32163 HW1 SOL 197 71.700 25.520 12.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32168 ATOM 32164 HW2 SOL 197 71.670 26.860 13.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32169 ATOM 32165 OW SOL 198 67.200 21.440 3.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32170 ATOM 32166 HW1 SOL 198 67.730 20.620 3.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32171 ATOM 32167 HW2 SOL 198 67.350 21.730 4.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32172 ATOM 32168 OW SOL 199 60.150 26.020 6.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32173 ATOM 32169 HW1 SOL 199 61.020 26.510 6.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32174 ATOM 32170 HW2 SOL 199 59.640 26.060 7.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32175 ATOM 32171 OW SOL 200 1.330 26.600 15.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32176 ATOM 32172 HW1 SOL 200 1.540 27.170 14.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32177 ATOM 32173 HW2 SOL 200 1.340 25.630 15.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32178 ATOM 32174 OW SOL 201 61.940 31.100 71.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32179 ATOM 32175 HW1 SOL 201 61.650 30.640 72.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32180 ATOM 32176 HW2 SOL 201 61.240 31.000 70.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32181 ATOM 32177 OW SOL 202 60.950 35.970 10.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32182 ATOM 32178 HW1 SOL 202 61.280 36.850 10.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32183 ATOM 32179 HW2 SOL 202 61.390 35.740 9.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32184 ATOM 32180 OW SOL 203 64.570 28.250 8.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32185 ATOM 32181 HW1 SOL 203 65.150 27.470 9.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32186 ATOM 32182 HW2 SOL 203 64.140 28.620 9.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32187 ATOM 32183 OW SOL 204 65.050 27.520 0.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32188 ATOM 32184 HW1 SOL 204 64.730 27.720 -0.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32189 ATOM 32185 HW2 SOL 204 64.810 28.270 0.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32190 ATOM 32186 OW SOL 205 72.460 33.410 8.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32191 ATOM 32187 HW1 SOL 205 71.580 33.740 7.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32192 ATOM 32188 HW2 SOL 205 72.340 32.510 8.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32193 ATOM 32189 OW SOL 206 59.710 32.010 18.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32194 ATOM 32190 HW1 SOL 206 58.890 31.540 19.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32195 ATOM 32191 HW2 SOL 206 60.150 32.500 19.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32196 ATOM 32192 OW SOL 207 57.200 29.870 8.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32197 ATOM 32193 HW1 SOL 207 56.850 30.590 8.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32198 ATOM 32194 HW2 SOL 207 57.880 30.250 7.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32199 ATOM 32195 OW SOL 208 62.920 32.400 14.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32200 ATOM 32196 HW1 SOL 208 62.400 32.170 15.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32201 ATOM 32197 HW2 SOL 208 63.120 33.380 14.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32202 ATOM 32198 OW SOL 209 71.150 20.780 13.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32203 ATOM 32199 HW1 SOL 209 72.090 21.070 14.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32204 ATOM 32200 HW2 SOL 209 70.570 21.580 13.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32205 ATOM 32201 OW SOL 210 58.240 21.840 5.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32206 ATOM 32202 HW1 SOL 210 57.990 21.060 6.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32207 ATOM 32203 HW2 SOL 210 57.420 22.350 5.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32208 ATOM 32204 OW SOL 211 56.380 23.990 12.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32209 ATOM 32205 HW1 SOL 211 56.300 23.210 13.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32210 ATOM 32206 HW2 SOL 211 55.920 23.770 12.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32211 ATOM 32207 OW SOL 212 62.390 33.030 5.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32212 ATOM 32208 HW1 SOL 212 62.920 33.850 5.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32213 ATOM 32209 HW2 SOL 212 61.640 33.290 4.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32214 ATOM 32210 OW SOL 213 69.070 22.430 11.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32215 ATOM 32211 HW1 SOL 213 69.690 21.680 11.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32216 ATOM 32212 HW2 SOL 213 68.260 22.360 11.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32217 ATOM 32213 OW SOL 214 69.250 17.090 9.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32218 ATOM 32214 HW1 SOL 214 69.110 16.130 9.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32219 ATOM 32215 HW2 SOL 214 68.720 17.300 10.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32220 ATOM 32216 OW SOL 215 63.800 29.510 2.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32221 ATOM 32217 HW1 SOL 215 62.930 29.030 2.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32222 ATOM 32218 HW2 SOL 215 64.140 29.720 3.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32223 ATOM 32219 OW SOL 216 60.180 34.160 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32224 ATOM 32220 HW1 SOL 216 60.370 34.500 13.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32225 ATOM 32221 HW2 SOL 216 60.800 34.590 12.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32226 ATOM 32222 OW SOL 217 68.150 18.590 71.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32227 ATOM 32223 HW1 SOL 217 68.750 17.930 70.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32228 ATOM 32224 HW2 SOL 217 68.700 19.190 71.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32229 ATOM 32225 OW SOL 218 68.290 22.680 6.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32230 ATOM 32226 HW1 SOL 218 67.740 23.420 5.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32231 ATOM 32227 HW2 SOL 218 68.040 22.550 7.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32232 ATOM 32228 OW SOL 219 0.100 19.700 9.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32233 ATOM 32229 HW1 SOL 219 1.050 19.920 9.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32234 ATOM 32230 HW2 SOL 219 0.060 18.770 9.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32235 ATOM 32231 OW SOL 220 55.620 28.000 2.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32236 ATOM 32232 HW1 SOL 220 56.500 27.670 3.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32237 ATOM 32233 HW2 SOL 220 55.100 27.230 2.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32238 ATOM 32234 OW SOL 221 64.080 33.630 0.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32239 ATOM 32235 HW1 SOL 221 64.520 33.060 0.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32240 ATOM 32236 HW2 SOL 221 63.220 33.220 1.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32241 ATOM 32237 OW SOL 222 58.060 24.940 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32242 ATOM 32238 HW1 SOL 222 57.070 25.060 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32243 ATOM 32239 HW2 SOL 222 58.390 24.890 22.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32244 ATOM 32240 OW SOL 223 56.690 21.960 29.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32245 ATOM 32241 HW1 SOL 223 56.590 21.200 30.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32246 ATOM 32242 HW2 SOL 223 56.820 21.590 28.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32247 ATOM 32243 OW SOL 224 52.820 23.820 25.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32248 ATOM 32244 HW1 SOL 224 51.930 24.280 25.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32249 ATOM 32245 HW2 SOL 224 53.410 24.220 24.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32250 ATOM 32246 OW SOL 225 60.370 31.550 29.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32251 ATOM 32247 HW1 SOL 225 59.410 31.310 29.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32252 ATOM 32248 HW2 SOL 225 60.470 32.540 29.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32253 ATOM 32249 OW SOL 226 0.960 32.420 24.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32254 ATOM 32250 HW1 SOL 226 1.160 31.550 25.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32255 ATOM 32251 HW2 SOL 226 1.010 32.300 23.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32256 ATOM 32252 OW SOL 227 66.660 26.460 24.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32257 ATOM 32253 HW1 SOL 227 67.330 27.160 24.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32258 ATOM 32254 HW2 SOL 227 65.750 26.760 24.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32259 ATOM 32255 OW SOL 228 1.520 23.850 21.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32260 ATOM 32256 HW1 SOL 228 1.970 24.210 20.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32261 ATOM 32257 HW2 SOL 228 0.700 23.340 21.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32262 ATOM 32258 OW SOL 229 62.310 30.410 27.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32263 ATOM 32259 HW1 SOL 229 61.490 30.760 28.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32264 ATOM 32260 HW2 SOL 229 62.590 31.040 27.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32265 ATOM 32261 OW SOL 230 65.590 26.320 35.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32266 ATOM 32262 HW1 SOL 230 66.270 26.820 36.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32267 ATOM 32263 HW2 SOL 230 65.270 26.910 34.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32268 ATOM 32264 OW SOL 231 64.040 29.750 24.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32269 ATOM 32265 HW1 SOL 231 64.450 30.650 25.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32270 ATOM 32266 HW2 SOL 231 63.070 29.780 25.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32271 ATOM 32267 OW SOL 232 62.650 30.080 37.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32272 ATOM 32268 HW1 SOL 232 63.160 30.530 37.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32273 ATOM 32269 HW2 SOL 232 61.770 30.530 37.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32274 ATOM 32270 OW SOL 233 57.920 33.630 29.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32275 ATOM 32271 HW1 SOL 233 56.970 33.340 29.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32276 ATOM 32272 HW2 SOL 233 58.250 34.050 28.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32277 ATOM 32273 OW SOL 234 68.710 34.420 32.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32278 ATOM 32274 HW1 SOL 234 69.710 34.480 31.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32279 ATOM 32275 HW2 SOL 234 68.420 34.930 32.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32280 ATOM 32276 OW SOL 235 59.520 22.070 31.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32281 ATOM 32277 HW1 SOL 235 60.070 22.260 32.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32282 ATOM 32278 HW2 SOL 235 58.910 21.300 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32283 ATOM 32279 OW SOL 236 59.350 36.240 20.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32284 ATOM 32280 HW1 SOL 236 59.020 36.070 19.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32285 ATOM 32281 HW2 SOL 236 60.020 36.980 20.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32286 ATOM 32282 OW SOL 237 66.430 32.290 34.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32287 ATOM 32283 HW1 SOL 237 67.210 31.920 33.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32288 ATOM 32284 HW2 SOL 237 65.810 31.550 34.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32289 ATOM 32285 OW SOL 238 56.660 34.000 23.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32290 ATOM 32286 HW1 SOL 238 56.640 34.380 22.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32291 ATOM 32287 HW2 SOL 238 57.080 34.660 23.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32292 ATOM 32288 OW SOL 239 59.400 28.930 27.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32293 ATOM 32289 HW1 SOL 239 59.470 28.130 27.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32294 ATOM 32290 HW2 SOL 239 58.880 29.640 27.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32295 ATOM 32291 OW SOL 240 60.980 36.160 31.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32296 ATOM 32292 HW1 SOL 240 61.540 36.510 31.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32297 ATOM 32293 HW2 SOL 240 60.850 36.880 30.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32298 ATOM 32294 OW SOL 241 61.860 28.820 21.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32299 ATOM 32295 HW1 SOL 241 61.920 28.890 20.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32300 ATOM 32296 HW2 SOL 241 61.290 29.550 21.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32301 ATOM 32297 OW SOL 242 70.700 18.740 34.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32302 ATOM 32298 HW1 SOL 242 70.040 18.280 33.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32303 ATOM 32299 HW2 SOL 242 70.720 19.710 33.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32304 ATOM 32300 OW SOL 243 57.840 26.670 25.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32305 ATOM 32301 HW1 SOL 243 58.250 25.990 26.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32306 ATOM 32302 HW2 SOL 243 58.100 27.590 25.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32307 ATOM 32303 OW SOL 244 55.720 33.840 19.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32308 ATOM 32304 HW1 SOL 244 54.770 33.610 19.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32309 ATOM 32305 HW2 SOL 244 56.040 34.540 19.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32310 ATOM 32306 OW SOL 245 72.180 27.700 24.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32311 ATOM 32307 HW1 SOL 245 72.600 27.720 25.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32312 ATOM 32308 HW2 SOL 245 72.870 27.880 23.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32313 ATOM 32309 OW SOL 246 56.580 25.890 33.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32314 ATOM 32310 HW1 SOL 246 56.480 26.220 32.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32315 ATOM 32311 HW2 SOL 246 55.840 26.280 34.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32316 ATOM 32312 OW SOL 247 60.320 32.540 25.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32317 ATOM 32313 HW1 SOL 247 60.610 31.590 25.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32318 ATOM 32314 HW2 SOL 247 60.850 33.030 24.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32319 ATOM 32315 OW SOL 248 68.600 30.730 33.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32320 ATOM 32316 HW1 SOL 248 68.710 29.850 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32321 ATOM 32317 HW2 SOL 248 69.440 31.260 33.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32322 ATOM 32318 OW SOL 249 63.230 18.750 24.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32323 ATOM 32319 HW1 SOL 249 63.540 19.030 25.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32324 ATOM 32320 HW2 SOL 249 62.260 19.000 24.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32325 ATOM 32321 OW SOL 250 59.320 29.600 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32326 ATOM 32322 HW1 SOL 250 59.730 28.720 33.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32327 ATOM 32323 HW2 SOL 250 58.630 29.440 32.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32328 ATOM 32324 OW SOL 251 0.300 31.180 22.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32329 ATOM 32325 HW1 SOL 251 -0.280 30.700 21.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32330 ATOM 32326 HW2 SOL 251 0.180 32.170 21.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32331 ATOM 32327 OW SOL 252 67.990 37.400 33.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32332 ATOM 32328 HW1 SOL 252 67.590 37.660 32.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32333 ATOM 32329 HW2 SOL 252 67.450 36.670 33.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32334 ATOM 32330 OW SOL 253 56.320 20.400 36.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32335 ATOM 32331 HW1 SOL 253 56.980 20.890 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32336 ATOM 32332 HW2 SOL 253 55.400 20.500 36.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32337 ATOM 32333 OW SOL 254 70.680 32.630 28.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32338 ATOM 32334 HW1 SOL 254 69.800 33.020 28.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32339 ATOM 32335 HW2 SOL 254 70.520 31.710 27.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32340 ATOM 32336 OW SOL 255 0.170 34.900 25.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32341 ATOM 32337 HW1 SOL 255 1.070 35.300 25.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32342 ATOM 32338 HW2 SOL 255 0.290 33.970 25.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32343 ATOM 32339 OW SOL 256 61.810 26.490 22.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32344 ATOM 32340 HW1 SOL 256 61.780 27.410 22.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32345 ATOM 32341 HW2 SOL 256 60.880 26.190 23.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32346 ATOM 32342 OW SOL 257 67.900 22.200 26.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32347 ATOM 32343 HW1 SOL 257 67.180 22.290 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32348 ATOM 32344 HW2 SOL 257 68.240 21.260 26.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32349 ATOM 32345 OW SOL 258 71.940 34.820 19.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32350 ATOM 32346 HW1 SOL 258 72.480 34.040 19.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32351 ATOM 32347 HW2 SOL 258 71.420 35.190 18.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32352 ATOM 32348 OW SOL 259 64.000 24.090 32.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32353 ATOM 32349 HW1 SOL 259 64.330 23.220 32.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32354 ATOM 32350 HW2 SOL 259 63.640 23.950 31.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32355 ATOM 32351 OW SOL 260 68.870 23.910 36.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32356 ATOM 32352 HW1 SOL 260 68.860 24.720 37.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32357 ATOM 32353 HW2 SOL 260 69.550 23.260 37.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32358 ATOM 32354 OW SOL 261 64.510 27.980 33.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32359 ATOM 32355 HW1 SOL 261 65.330 27.590 33.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32360 ATOM 32356 HW2 SOL 261 63.820 28.150 33.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32361 ATOM 32357 OW SOL 262 65.570 22.980 27.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32362 ATOM 32358 HW1 SOL 262 64.980 23.070 28.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32363 ATOM 32359 HW2 SOL 262 65.010 22.670 27.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32364 ATOM 32360 OW SOL 263 65.490 25.770 21.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32365 ATOM 32361 HW1 SOL 263 65.800 25.920 22.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32366 ATOM 32362 HW2 SOL 263 64.690 25.180 21.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32367 ATOM 32363 OW SOL 264 56.380 28.470 29.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32368 ATOM 32364 HW1 SOL 264 57.170 28.020 29.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32369 ATOM 32365 HW2 SOL 264 55.570 28.330 28.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32370 ATOM 32366 OW SOL 265 55.860 36.870 32.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32371 ATOM 32367 HW1 SOL 265 54.920 37.180 32.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32372 ATOM 32368 HW2 SOL 265 56.410 37.110 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32373 ATOM 32369 OW SOL 266 64.530 22.030 20.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32374 ATOM 32370 HW1 SOL 266 63.560 22.180 20.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32375 ATOM 32371 HW2 SOL 266 64.790 21.120 20.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32376 ATOM 32372 OW SOL 267 72.220 25.540 35.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32377 ATOM 32373 HW1 SOL 267 71.780 26.310 35.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32378 ATOM 32374 HW2 SOL 267 72.110 24.710 35.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32379 ATOM 32375 OW SOL 268 70.780 30.040 24.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32380 ATOM 32376 HW1 SOL 268 71.670 29.580 24.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32381 ATOM 32377 HW2 SOL 268 70.790 30.720 23.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32382 ATOM 32378 OW SOL 269 62.930 19.020 27.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32383 ATOM 32379 HW1 SOL 269 62.370 19.640 28.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32384 ATOM 32380 HW2 SOL 269 63.900 19.170 27.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32385 ATOM 32381 OW SOL 270 65.370 35.030 23.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32386 ATOM 32382 HW1 SOL 270 65.300 35.360 22.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32387 ATOM 32383 HW2 SOL 270 65.010 35.730 23.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32388 ATOM 32384 OW SOL 271 57.920 35.980 25.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32389 ATOM 32385 HW1 SOL 271 58.650 35.550 25.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32390 ATOM 32386 HW2 SOL 271 58.100 36.970 25.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32391 ATOM 32387 OW SOL 272 0.380 30.010 28.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32392 ATOM 32388 HW1 SOL 272 -0.450 30.010 28.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32393 ATOM 32389 HW2 SOL 272 0.160 30.240 29.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32394 ATOM 32390 OW SOL 273 67.000 35.020 34.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32395 ATOM 32391 HW1 SOL 273 66.700 34.130 33.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32396 ATOM 32392 HW2 SOL 273 67.260 34.930 35.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32397 ATOM 32393 OW SOL 274 58.510 27.760 21.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32398 ATOM 32394 HW1 SOL 274 58.800 27.810 20.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32399 ATOM 32395 HW2 SOL 274 58.750 26.860 21.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32400 ATOM 32396 OW SOL 275 69.900 26.080 26.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32401 ATOM 32397 HW1 SOL 275 69.570 25.190 26.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32402 ATOM 32398 HW2 SOL 275 70.590 25.950 25.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32403 ATOM 32399 OW SOL 276 60.380 31.200 36.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32404 ATOM 32400 HW1 SOL 276 60.040 31.140 35.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32405 ATOM 32401 HW2 SOL 276 59.910 30.540 36.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32406 ATOM 32402 OW SOL 277 68.220 35.530 22.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32407 ATOM 32403 HW1 SOL 277 68.670 35.760 22.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32408 ATOM 32404 HW2 SOL 277 67.430 34.940 22.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32409 ATOM 32405 OW SOL 278 57.540 21.250 34.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32410 ATOM 32406 HW1 SOL 278 57.690 22.230 34.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32411 ATOM 32407 HW2 SOL 278 57.030 20.900 34.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32412 ATOM 32408 OW SOL 279 61.510 36.410 22.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32413 ATOM 32409 HW1 SOL 279 62.010 37.210 23.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32414 ATOM 32410 HW2 SOL 279 60.680 36.710 22.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32415 ATOM 32411 OW SOL 280 70.150 19.460 23.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32416 ATOM 32412 HW1 SOL 280 70.410 18.500 23.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32417 ATOM 32413 HW2 SOL 280 70.940 20.040 23.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32418 ATOM 32414 OW SOL 281 57.750 36.500 30.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32419 ATOM 32415 HW1 SOL 281 57.880 35.890 31.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32420 ATOM 32416 HW2 SOL 281 56.920 36.250 29.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32421 ATOM 32417 OW SOL 282 64.730 35.220 26.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32422 ATOM 32418 HW1 SOL 282 64.880 35.270 27.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32423 ATOM 32419 HW2 SOL 282 65.220 34.420 25.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32424 ATOM 32420 OW SOL 283 59.590 25.220 23.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32425 ATOM 32421 HW1 SOL 283 59.820 24.370 24.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32426 ATOM 32422 HW2 SOL 283 59.060 25.810 24.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32427 ATOM 32423 OW SOL 284 70.920 21.130 32.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32428 ATOM 32424 HW1 SOL 284 71.370 22.010 32.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32429 ATOM 32425 HW2 SOL 284 71.570 20.480 31.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32430 ATOM 32426 OW SOL 285 61.640 20.540 19.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32431 ATOM 32427 HW1 SOL 285 61.770 19.590 20.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32432 ATOM 32428 HW2 SOL 285 61.060 20.570 18.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32433 ATOM 32429 OW SOL 286 62.590 19.730 34.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32434 ATOM 32430 HW1 SOL 286 62.850 19.350 35.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32435 ATOM 32431 HW2 SOL 286 61.610 19.580 34.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32436 ATOM 32432 OW SOL 287 65.130 35.620 28.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32437 ATOM 32433 HW1 SOL 287 66.090 35.750 28.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32438 ATOM 32434 HW2 SOL 287 65.050 34.960 29.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32439 ATOM 32435 OW SOL 288 68.880 25.780 34.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32440 ATOM 32436 HW1 SOL 288 68.780 25.160 35.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32441 ATOM 32437 HW2 SOL 288 69.550 26.480 34.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32442 ATOM 32438 OW SOL 289 63.460 32.400 26.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32443 ATOM 32439 HW1 SOL 289 64.280 32.580 25.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32444 ATOM 32440 HW2 SOL 289 62.670 32.850 26.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32445 ATOM 32441 OW SOL 290 64.040 25.400 26.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32446 ATOM 32442 HW1 SOL 290 64.050 26.010 25.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32447 ATOM 32443 HW2 SOL 290 64.490 24.540 26.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32448 ATOM 32444 OW SOL 291 60.700 19.540 23.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32449 ATOM 32445 HW1 SOL 291 59.770 19.830 23.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32450 ATOM 32446 HW2 SOL 291 61.210 20.310 23.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32451 ATOM 32447 OW SOL 292 70.210 30.450 19.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32452 ATOM 32448 HW1 SOL 292 70.630 29.630 19.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32453 ATOM 32449 HW2 SOL 292 69.330 30.610 19.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32454 ATOM 32450 OW SOL 293 58.720 21.700 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32455 ATOM 32451 HW1 SOL 293 58.830 22.040 20.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32456 ATOM 32452 HW2 SOL 293 58.820 20.700 21.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32457 ATOM 32453 OW SOL 294 65.830 21.820 23.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32458 ATOM 32454 HW1 SOL 294 65.450 21.720 22.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32459 ATOM 32455 HW2 SOL 294 66.760 22.180 23.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32460 ATOM 32456 OW SOL 295 66.940 27.340 32.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32461 ATOM 32457 HW1 SOL 295 67.510 26.660 33.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32462 ATOM 32458 HW2 SOL 295 67.520 28.010 32.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32463 ATOM 32459 OW SOL 296 69.440 34.250 24.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32464 ATOM 32460 HW1 SOL 296 69.320 35.240 24.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32465 ATOM 32461 HW2 SOL 296 70.060 34.040 25.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32466 ATOM 32462 OW SOL 297 61.380 29.840 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32467 ATOM 32463 HW1 SOL 297 60.980 29.340 25.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32468 ATOM 32464 HW2 SOL 297 60.710 29.930 24.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32469 ATOM 32465 OW SOL 298 68.700 36.820 24.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32470 ATOM 32466 HW1 SOL 298 67.790 37.080 25.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32471 ATOM 32467 HW2 SOL 298 69.390 37.400 25.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32472 ATOM 32468 OW SOL 299 62.510 23.740 18.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32473 ATOM 32469 HW1 SOL 299 61.520 23.750 18.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32474 ATOM 32470 HW2 SOL 299 62.780 24.220 19.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32475 ATOM 32471 OW SOL 300 52.840 22.790 32.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32476 ATOM 32472 HW1 SOL 300 52.240 23.490 32.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32477 ATOM 32473 HW2 SOL 300 53.550 23.210 31.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32478 ATOM 32474 OW SOL 301 61.340 20.850 29.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32479 ATOM 32475 HW1 SOL 301 61.890 20.610 30.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32480 ATOM 32476 HW2 SOL 301 60.390 20.990 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32481 ATOM 32477 OW SOL 302 64.380 22.620 25.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32482 ATOM 32478 HW1 SOL 302 63.600 23.070 25.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32483 ATOM 32479 HW2 SOL 302 64.910 22.130 24.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32484 ATOM 32480 OW SOL 303 66.200 19.250 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32485 ATOM 32481 HW1 SOL 303 65.610 19.840 24.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32486 ATOM 32482 HW2 SOL 303 65.760 18.360 25.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32487 ATOM 32483 OW SOL 304 70.630 30.030 27.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32488 ATOM 32484 HW1 SOL 304 70.030 29.320 27.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32489 ATOM 32485 HW2 SOL 304 70.530 30.030 26.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32490 ATOM 32486 OW SOL 305 69.990 23.590 27.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32491 ATOM 32487 HW1 SOL 305 69.150 23.590 28.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32492 ATOM 32488 HW2 SOL 305 70.700 24.110 28.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32493 ATOM 32489 OW SOL 306 2.060 26.190 23.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32494 ATOM 32490 HW1 SOL 306 2.480 25.930 24.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32495 ATOM 32491 HW2 SOL 306 1.900 25.370 22.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32496 ATOM 32492 OW SOL 307 60.500 33.620 21.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32497 ATOM 32493 HW1 SOL 307 60.130 34.520 20.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32498 ATOM 32494 HW2 SOL 307 60.800 33.650 21.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32499 ATOM 32495 OW SOL 308 68.970 24.050 19.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32500 ATOM 32496 HW1 SOL 308 68.010 23.750 19.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32501 ATOM 32497 HW2 SOL 308 69.230 24.340 20.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32502 ATOM 32498 OW SOL 309 61.520 21.700 22.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32503 ATOM 32499 HW1 SOL 309 61.470 21.360 21.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32504 ATOM 32500 HW2 SOL 309 60.650 22.120 22.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32505 ATOM 32501 OW SOL 310 64.590 33.450 31.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32506 ATOM 32502 HW1 SOL 310 64.360 32.620 31.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32507 ATOM 32503 HW2 SOL 310 64.230 34.250 31.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32508 ATOM 32504 OW SOL 311 70.650 34.490 34.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32509 ATOM 32505 HW1 SOL 311 69.910 34.690 35.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32510 ATOM 32506 HW2 SOL 311 71.110 35.350 34.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32511 ATOM 32507 OW SOL 312 65.680 32.370 29.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32512 ATOM 32508 HW1 SOL 312 65.420 32.890 29.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32513 ATOM 32509 HW2 SOL 312 64.890 32.310 28.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32514 ATOM 32510 OW SOL 313 72.150 30.640 31.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32515 ATOM 32511 HW1 SOL 313 71.860 31.280 32.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32516 ATOM 32512 HW2 SOL 313 72.040 29.710 32.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32517 ATOM 32513 OW SOL 314 65.910 21.050 30.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32518 ATOM 32514 HW1 SOL 314 65.950 20.650 29.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32519 ATOM 32515 HW2 SOL 314 66.790 21.470 30.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32520 ATOM 32516 OW SOL 315 64.520 30.380 35.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32521 ATOM 32517 HW1 SOL 315 63.610 30.550 35.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32522 ATOM 32518 HW2 SOL 315 64.510 29.510 34.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32523 ATOM 32519 OW SOL 316 65.510 30.290 22.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32524 ATOM 32520 HW1 SOL 316 64.990 29.930 23.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32525 ATOM 32521 HW2 SOL 316 65.540 29.590 21.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32526 ATOM 32522 OW SOL 317 59.870 26.880 33.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32527 ATOM 32523 HW1 SOL 317 60.480 26.720 33.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32528 ATOM 32524 HW2 SOL 317 59.830 26.060 32.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32529 ATOM 32525 OW SOL 318 67.740 24.150 29.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32530 ATOM 32526 HW1 SOL 318 67.410 24.770 29.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32531 ATOM 32527 HW2 SOL 318 66.960 23.760 28.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32532 ATOM 32528 OW SOL 319 56.790 33.810 33.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32533 ATOM 32529 HW1 SOL 319 56.070 34.050 32.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32534 ATOM 32530 HW2 SOL 319 57.680 33.900 33.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32535 ATOM 32531 OW SOL 320 59.280 29.790 23.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32536 ATOM 32532 HW1 SOL 320 58.510 30.360 23.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32537 ATOM 32533 HW2 SOL 320 58.920 29.010 22.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32538 ATOM 32534 OW SOL 321 59.510 24.960 26.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32539 ATOM 32535 HW1 SOL 321 59.760 24.030 26.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32540 ATOM 32536 HW2 SOL 321 60.250 25.350 27.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32541 ATOM 32537 OW SOL 322 70.120 32.270 23.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32542 ATOM 32538 HW1 SOL 322 70.770 32.830 22.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32543 ATOM 32539 HW2 SOL 322 69.700 32.820 23.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32544 ATOM 32540 OW SOL 323 68.190 33.700 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32545 ATOM 32541 HW1 SOL 323 68.240 33.830 30.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32546 ATOM 32542 HW2 SOL 323 67.530 32.980 29.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32547 ATOM 32543 OW SOL 324 69.770 24.700 22.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32548 ATOM 32544 HW1 SOL 324 69.170 24.600 22.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32549 ATOM 32545 HW2 SOL 324 70.010 25.670 22.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32550 ATOM 32546 OW SOL 325 58.870 34.470 31.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32551 ATOM 32547 HW1 SOL 325 58.440 33.990 31.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32552 ATOM 32548 HW2 SOL 325 59.620 35.050 31.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32553 ATOM 32549 OW SOL 326 60.730 23.200 33.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32554 ATOM 32550 HW1 SOL 326 61.050 24.140 33.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32555 ATOM 32551 HW2 SOL 326 61.350 22.720 34.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32556 ATOM 32552 OW SOL 327 70.610 27.790 34.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32557 ATOM 32553 HW1 SOL 327 70.130 28.560 35.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32558 ATOM 32554 HW2 SOL 327 70.860 28.040 33.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32559 ATOM 32555 OW SOL 328 67.370 18.620 34.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32560 ATOM 32556 HW1 SOL 328 66.960 19.500 34.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32561 ATOM 32557 HW2 SOL 328 67.970 18.310 33.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32562 ATOM 32558 OW SOL 329 59.860 19.330 34.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32563 ATOM 32559 HW1 SOL 329 59.460 18.420 34.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32564 ATOM 32560 HW2 SOL 329 59.250 19.950 34.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32565 ATOM 32561 OW SOL 330 60.980 28.070 30.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32566 ATOM 32562 HW1 SOL 330 61.230 28.900 29.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32567 ATOM 32563 HW2 SOL 330 61.620 27.950 30.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32568 ATOM 32564 OW SOL 331 68.700 27.850 28.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32569 ATOM 32565 HW1 SOL 331 67.710 27.700 28.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32570 ATOM 32566 HW2 SOL 331 69.070 27.320 27.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32571 ATOM 32567 OW SOL 332 66.250 23.920 19.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32572 ATOM 32568 HW1 SOL 332 65.540 23.260 20.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32573 ATOM 32569 HW2 SOL 332 66.240 24.690 20.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32574 ATOM 32570 OW SOL 333 57.330 20.170 31.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32575 ATOM 32571 HW1 SOL 333 57.070 20.450 32.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32576 ATOM 32572 HW2 SOL 333 57.320 19.180 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32577 ATOM 32573 OW SOL 334 54.040 33.200 32.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32578 ATOM 32574 HW1 SOL 334 53.700 34.050 32.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32579 ATOM 32575 HW2 SOL 334 53.310 32.530 32.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32580 ATOM 32576 OW SOL 335 61.700 25.400 28.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32581 ATOM 32577 HW1 SOL 335 62.250 25.820 27.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32582 ATOM 32578 HW2 SOL 335 61.700 25.990 29.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32583 ATOM 32579 OW SOL 336 58.140 17.210 24.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32584 ATOM 32580 HW1 SOL 336 58.110 17.610 25.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32585 ATOM 32581 HW2 SOL 336 58.600 16.320 24.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32586 ATOM 32582 OW SOL 337 71.700 23.020 21.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32587 ATOM 32583 HW1 SOL 337 71.660 22.200 21.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32588 ATOM 32584 HW2 SOL 337 70.910 23.600 21.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32589 ATOM 32585 OW SOL 338 65.840 26.790 28.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32590 ATOM 32586 HW1 SOL 338 65.940 26.110 28.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32591 ATOM 32587 HW2 SOL 338 65.220 26.430 27.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32592 ATOM 32588 OW SOL 339 64.990 33.900 36.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32593 ATOM 32589 HW1 SOL 339 64.330 34.320 35.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32594 ATOM 32590 HW2 SOL 339 65.590 33.280 35.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32595 ATOM 32591 OW SOL 340 59.510 24.550 36.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32596 ATOM 32592 HW1 SOL 340 60.200 23.840 36.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32597 ATOM 32593 HW2 SOL 340 59.210 24.910 35.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32598 ATOM 32594 OW SOL 341 69.550 20.840 19.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32599 ATOM 32595 HW1 SOL 341 69.020 20.040 19.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32600 ATOM 32596 HW2 SOL 341 69.690 21.440 20.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32601 ATOM 32597 OW SOL 342 69.900 26.880 18.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32602 ATOM 32598 HW1 SOL 342 69.380 26.040 18.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32603 ATOM 32599 HW2 SOL 342 69.500 27.480 17.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32604 ATOM 32600 OW SOL 343 65.860 32.600 25.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32605 ATOM 32601 HW1 SOL 343 66.590 32.050 25.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32606 ATOM 32602 HW2 SOL 343 66.170 32.980 24.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32607 ATOM 32603 OW SOL 344 58.700 27.100 28.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32608 ATOM 32604 HW1 SOL 344 58.370 26.160 28.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32609 ATOM 32605 HW2 SOL 344 59.530 27.220 29.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32610 ATOM 32606 OW SOL 345 57.460 24.540 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32611 ATOM 32607 HW1 SOL 345 57.290 23.600 29.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32612 ATOM 32608 HW2 SOL 345 57.820 24.550 28.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32613 ATOM 32609 OW SOL 346 66.750 21.460 33.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32614 ATOM 32610 HW1 SOL 346 66.850 22.290 34.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32615 ATOM 32611 HW2 SOL 346 67.220 21.570 33.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32616 ATOM 32612 OW SOL 347 69.930 24.510 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32617 ATOM 32613 HW1 SOL 347 69.630 24.950 32.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32618 ATOM 32614 HW2 SOL 347 70.810 24.060 31.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32619 ATOM 32615 OW SOL 348 57.400 30.940 19.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32620 ATOM 32616 HW1 SOL 348 56.690 31.540 19.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32621 ATOM 32617 HW2 SOL 348 57.440 30.100 20.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32622 ATOM 32618 OW SOL 349 55.560 35.730 29.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32623 ATOM 32619 HW1 SOL 349 55.280 34.800 29.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32624 ATOM 32620 HW2 SOL 349 54.760 36.270 28.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32625 ATOM 32621 OW SOL 350 59.770 34.490 26.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32626 ATOM 32622 HW1 SOL 350 60.390 34.380 27.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32627 ATOM 32623 HW2 SOL 350 59.820 33.680 26.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32628 ATOM 32624 OW SOL 351 66.090 25.470 30.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32629 ATOM 32625 HW1 SOL 351 66.630 26.100 31.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32630 ATOM 32626 HW2 SOL 351 65.290 25.160 31.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32631 ATOM 32627 OW SOL 352 54.560 23.530 30.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32632 ATOM 32628 HW1 SOL 352 54.610 24.390 29.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32633 ATOM 32629 HW2 SOL 352 55.420 23.030 30.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32634 ATOM 32630 OW SOL 353 58.120 23.770 34.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32635 ATOM 32631 HW1 SOL 353 59.040 23.910 33.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32636 ATOM 32632 HW2 SOL 353 57.550 24.560 34.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32637 ATOM 32633 OW SOL 354 69.130 30.180 35.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32638 ATOM 32634 HW1 SOL 354 69.640 30.950 36.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32639 ATOM 32635 HW2 SOL 354 68.670 30.460 35.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32640 ATOM 32636 OW SOL 355 62.560 23.820 23.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32641 ATOM 32637 HW1 SOL 355 62.490 23.200 23.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32642 ATOM 32638 HW2 SOL 355 62.160 24.700 23.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32643 ATOM 32639 OW SOL 356 57.720 32.480 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32644 ATOM 32640 HW1 SOL 356 57.850 31.500 36.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32645 ATOM 32641 HW2 SOL 356 57.230 32.610 35.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32646 ATOM 32642 OW SOL 357 63.240 23.290 29.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32647 ATOM 32643 HW1 SOL 357 62.700 22.450 29.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32648 ATOM 32644 HW2 SOL 357 62.850 24.010 29.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32649 ATOM 32645 OW SOL 358 63.780 35.550 32.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32650 ATOM 32646 HW1 SOL 358 63.800 36.530 32.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32651 ATOM 32647 HW2 SOL 358 63.410 35.400 33.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32652 ATOM 32648 OW SOL 359 59.350 24.960 18.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32653 ATOM 32649 HW1 SOL 359 59.270 25.910 18.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32654 ATOM 32650 HW2 SOL 359 59.000 24.870 19.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32655 ATOM 32651 OW SOL 360 57.580 29.780 35.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32656 ATOM 32652 HW1 SOL 360 57.950 29.140 36.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32657 ATOM 32653 HW2 SOL 360 58.140 29.750 34.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32658 ATOM 32654 OW SOL 361 66.720 29.900 29.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32659 ATOM 32655 HW1 SOL 361 66.010 29.210 29.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32660 ATOM 32656 HW2 SOL 361 66.300 30.790 29.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32661 ATOM 32657 OW SOL 362 71.950 28.570 19.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32662 ATOM 32658 HW1 SOL 362 72.730 28.180 20.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32663 ATOM 32659 HW2 SOL 362 71.380 27.830 19.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32664 ATOM 32660 OW SOL 363 71.350 33.910 31.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32665 ATOM 32661 HW1 SOL 363 71.450 33.460 32.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32666 ATOM 32662 HW2 SOL 363 71.550 33.260 30.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32667 ATOM 32663 OW SOL 364 67.550 36.180 28.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32668 ATOM 32664 HW1 SOL 364 67.750 35.200 28.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32669 ATOM 32665 HW2 SOL 364 68.150 36.680 28.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32670 ATOM 32666 OW SOL 365 55.330 32.960 29.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32671 ATOM 32667 HW1 SOL 365 54.880 33.190 30.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32672 ATOM 32668 HW2 SOL 365 54.730 32.360 29.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32673 ATOM 32669 OW SOL 366 63.140 37.450 35.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32674 ATOM 32670 HW1 SOL 366 62.800 37.140 35.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32675 ATOM 32671 HW2 SOL 366 64.040 37.880 35.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32676 ATOM 32672 OW SOL 367 72.390 33.800 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32677 ATOM 32673 HW1 SOL 367 72.480 34.630 22.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32678 ATOM 32674 HW2 SOL 367 71.890 34.030 20.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32679 ATOM 32675 OW SOL 368 54.520 36.130 37.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32680 ATOM 32676 HW1 SOL 368 55.390 36.590 37.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32681 ATOM 32677 HW2 SOL 368 54.640 35.500 38.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32682 ATOM 32678 OW SOL 369 68.630 28.280 24.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32683 ATOM 32679 HW1 SOL 369 69.160 27.520 25.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32684 ATOM 32680 HW2 SOL 369 69.240 29.060 24.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32685 ATOM 32681 OW SOL 370 62.450 31.320 31.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32686 ATOM 32682 HW1 SOL 370 62.090 31.850 32.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32687 ATOM 32683 HW2 SOL 370 61.950 31.550 30.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32688 ATOM 32684 OW SOL 371 62.680 34.450 19.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32689 ATOM 32685 HW1 SOL 371 63.010 33.810 18.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32690 ATOM 32686 HW2 SOL 371 62.150 33.950 20.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32691 ATOM 32687 OW SOL 372 58.270 20.980 23.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32692 ATOM 32688 HW1 SOL 372 58.030 21.110 22.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32693 ATOM 32689 HW2 SOL 372 57.460 21.110 24.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32694 ATOM 32690 OW SOL 373 67.210 33.150 19.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32695 ATOM 32691 HW1 SOL 373 67.770 32.540 20.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32696 ATOM 32692 HW2 SOL 373 66.270 32.780 19.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32697 ATOM 32693 OW SOL 374 63.170 28.680 31.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32698 ATOM 32694 HW1 SOL 374 63.730 28.590 30.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32699 ATOM 32695 HW2 SOL 374 62.840 29.620 31.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32700 ATOM 32696 OW SOL 375 65.410 28.140 20.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32701 ATOM 32697 HW1 SOL 375 65.790 27.370 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32702 ATOM 32698 HW2 SOL 375 64.770 27.800 19.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32703 ATOM 32699 OW SOL 376 70.430 35.290 17.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32704 ATOM 32700 HW1 SOL 376 69.900 34.440 17.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32705 ATOM 32701 HW2 SOL 376 69.800 36.070 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32706 ATOM 32702 OW SOL 377 60.330 32.130 33.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32707 ATOM 32703 HW1 SOL 377 60.050 32.810 32.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32708 ATOM 32704 HW2 SOL 377 59.910 31.250 33.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32709 ATOM 32705 OW SOL 378 66.820 30.470 26.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32710 ATOM 32706 HW1 SOL 378 66.790 30.320 27.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32711 ATOM 32707 HW2 SOL 378 67.310 29.720 26.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32712 ATOM 32708 OW SOL 379 65.740 19.480 28.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32713 ATOM 32709 HW1 SOL 379 66.310 19.490 27.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32714 ATOM 32710 HW2 SOL 379 66.170 18.890 28.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32715 ATOM 32711 OW SOL 380 61.790 33.810 23.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32716 ATOM 32712 HW1 SOL 380 62.490 33.430 22.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32717 ATOM 32713 HW2 SOL 380 61.690 34.790 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32718 ATOM 32714 OW SOL 381 56.540 31.270 23.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32719 ATOM 32715 HW1 SOL 381 55.920 31.080 22.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32720 ATOM 32716 HW2 SOL 381 56.640 32.260 23.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32721 ATOM 32717 OW SOL 382 58.350 26.850 37.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32722 ATOM 32718 HW1 SOL 382 57.450 26.740 37.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32723 ATOM 32719 HW2 SOL 382 58.750 25.950 37.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32724 ATOM 32720 OW SOL 383 63.330 20.670 31.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32725 ATOM 32721 HW1 SOL 383 64.260 20.720 30.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32726 ATOM 32722 HW2 SOL 383 63.290 21.170 31.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32727 ATOM 32723 OW SOL 384 55.740 23.880 18.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32728 ATOM 32724 HW1 SOL 384 55.790 23.080 18.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32729 ATOM 32725 HW2 SOL 384 56.170 24.660 18.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32730 ATOM 32726 OW SOL 385 68.610 28.820 31.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32731 ATOM 32727 HW1 SOL 385 68.000 29.270 30.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32732 ATOM 32728 HW2 SOL 385 69.150 28.130 30.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32733 ATOM 32729 OW SOL 386 56.130 21.800 20.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32734 ATOM 32730 HW1 SOL 386 56.020 22.490 20.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32735 ATOM 32731 HW2 SOL 386 57.100 21.690 20.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32736 ATOM 32732 OW SOL 387 68.250 31.390 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32737 ATOM 32733 HW1 SOL 387 67.510 30.980 22.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32738 ATOM 32734 HW2 SOL 387 69.000 31.640 22.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32739 ATOM 32735 OW SOL 388 62.380 25.460 33.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32740 ATOM 32736 HW1 SOL 388 62.960 25.750 34.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32741 ATOM 32737 HW2 SOL 388 62.960 25.200 33.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32742 ATOM 32738 OW SOL 389 71.440 36.180 27.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32743 ATOM 32739 HW1 SOL 389 72.080 35.650 27.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32744 ATOM 32740 HW2 SOL 389 71.210 35.660 28.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32745 ATOM 32741 OW SOL 390 63.990 21.400 33.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32746 ATOM 32742 HW1 SOL 390 64.990 21.340 33.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32747 ATOM 32743 HW2 SOL 390 63.570 20.590 33.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32748 ATOM 32744 OW SOL 391 71.120 31.990 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32749 ATOM 32745 HW1 SOL 391 70.860 32.930 34.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32750 ATOM 32746 HW2 SOL 391 71.580 31.600 34.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32751 ATOM 32747 OW SOL 392 59.100 35.330 35.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32752 ATOM 32748 HW1 SOL 392 58.500 36.040 34.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32753 ATOM 32749 HW2 SOL 392 58.610 34.460 35.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32754 ATOM 32750 OW SOL 393 70.300 26.950 30.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32755 ATOM 32751 HW1 SOL 393 70.100 26.060 30.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32756 ATOM 32752 HW2 SOL 393 69.850 27.050 29.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32757 ATOM 32753 OW SOL 394 68.790 21.760 22.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32758 ATOM 32754 HW1 SOL 394 69.250 20.900 23.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32759 ATOM 32755 HW2 SOL 394 68.270 22.110 23.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32760 ATOM 32756 OW SOL 395 64.050 27.160 24.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32761 ATOM 32757 HW1 SOL 395 64.120 28.140 24.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32762 ATOM 32758 HW2 SOL 395 63.290 27.000 23.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32763 ATOM 32759 OW SOL 396 72.050 27.790 32.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32764 ATOM 32760 HW1 SOL 396 73.010 27.560 32.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32765 ATOM 32761 HW2 SOL 396 71.710 27.510 31.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32766 ATOM 32762 OW SOL 397 63.720 31.500 19.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32767 ATOM 32763 HW1 SOL 397 63.780 32.030 20.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32768 ATOM 32764 HW2 SOL 397 64.060 32.060 18.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32769 ATOM 32765 OW SOL 398 59.870 38.090 26.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32770 ATOM 32766 HW1 SOL 398 59.890 38.860 25.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32771 ATOM 32767 HW2 SOL 398 60.810 37.750 26.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32772 ATOM 32768 OW SOL 399 64.170 28.860 29.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32773 ATOM 32769 HW1 SOL 399 64.530 28.250 28.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32774 ATOM 32770 HW2 SOL 399 63.600 29.560 28.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32775 ATOM 32771 OW SOL 400 67.120 29.550 19.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32776 ATOM 32772 HW1 SOL 400 66.460 29.210 19.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32777 ATOM 32773 HW2 SOL 400 67.920 28.950 19.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32778 ATOM 32774 OW SOL 401 0.990 32.620 28.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32779 ATOM 32775 HW1 SOL 401 1.130 31.630 28.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32780 ATOM 32776 HW2 SOL 401 0.050 32.840 27.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32781 ATOM 32777 OW SOL 402 59.480 29.220 37.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32782 ATOM 32778 HW1 SOL 402 58.800 28.560 38.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32783 ATOM 32779 HW2 SOL 402 60.280 29.160 38.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32784 ATOM 32780 OW SOL 403 55.020 30.340 25.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32785 ATOM 32781 HW1 SOL 403 55.680 30.560 26.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32786 ATOM 32782 HW2 SOL 403 55.440 30.480 24.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32787 ATOM 32783 OW SOL 404 62.390 34.380 35.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32788 ATOM 32784 HW1 SOL 404 61.630 35.030 34.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32789 ATOM 32785 HW2 SOL 404 62.040 33.470 35.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32790 ATOM 32786 OW SOL 405 68.910 17.420 32.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32791 ATOM 32787 HW1 SOL 405 69.150 16.480 32.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32792 ATOM 32788 HW2 SOL 405 69.300 17.600 31.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32793 ATOM 32789 OW SOL 406 60.090 22.850 25.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32794 ATOM 32790 HW1 SOL 406 61.030 22.530 25.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32795 ATOM 32791 HW2 SOL 406 59.530 22.180 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32796 ATOM 32792 OW SOL 407 59.260 24.760 31.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32797 ATOM 32793 HW1 SOL 407 59.620 23.830 31.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32798 ATOM 32794 HW2 SOL 407 58.380 24.800 30.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32799 ATOM 32795 OW SOL 408 62.350 36.560 26.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32800 ATOM 32796 HW1 SOL 408 63.210 36.050 26.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32801 ATOM 32797 HW2 SOL 408 61.640 36.040 25.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32802 ATOM 32798 OW SOL 409 71.570 21.410 27.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32803 ATOM 32799 HW1 SOL 409 71.030 20.600 28.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32804 ATOM 32800 HW2 SOL 409 70.990 22.220 28.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32805 ATOM 32801 OW SOL 410 66.380 17.470 30.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32806 ATOM 32802 HW1 SOL 410 66.550 16.680 29.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32807 ATOM 32803 HW2 SOL 410 67.010 17.440 30.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32808 ATOM 32804 OW SOL 411 64.130 32.900 21.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32809 ATOM 32805 HW1 SOL 411 64.680 32.060 22.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32810 ATOM 32806 HW2 SOL 411 64.520 33.610 22.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32811 ATOM 32807 OW SOL 412 61.450 33.990 29.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32812 ATOM 32808 HW1 SOL 412 61.090 34.770 29.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32813 ATOM 32809 HW2 SOL 412 62.450 34.030 29.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32814 ATOM 32810 OW SOL 413 68.070 19.120 21.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32815 ATOM 32811 HW1 SOL 413 67.230 19.670 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32816 ATOM 32812 HW2 SOL 413 68.570 19.190 21.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32817 ATOM 32813 OW SOL 414 68.060 24.090 24.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32818 ATOM 32814 HW1 SOL 414 67.560 24.940 24.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32819 ATOM 32815 HW2 SOL 414 67.950 23.460 25.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32820 ATOM 32816 OW SOL 415 70.560 23.410 25.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32821 ATOM 32817 HW1 SOL 415 70.380 23.140 26.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32822 ATOM 32818 HW2 SOL 415 69.690 23.540 24.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32823 ATOM 32819 OW SOL 416 56.050 28.780 21.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32824 ATOM 32820 HW1 SOL 416 55.490 28.420 20.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32825 ATOM 32821 HW2 SOL 416 56.710 28.090 21.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32826 ATOM 32822 OW SOL 417 64.940 35.810 20.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32827 ATOM 32823 HW1 SOL 417 64.190 35.210 20.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32828 ATOM 32824 HW2 SOL 417 65.530 35.990 20.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32829 ATOM 32825 OW SOL 418 60.610 20.220 37.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32830 ATOM 32826 HW1 SOL 418 60.340 19.970 36.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32831 ATOM 32827 HW2 SOL 418 60.640 21.220 37.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32832 ATOM 32828 OW SOL 419 57.290 20.360 46.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32833 ATOM 32829 HW1 SOL 419 58.070 20.000 46.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32834 ATOM 32830 HW2 SOL 419 56.860 19.620 45.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32835 ATOM 32831 OW SOL 420 61.380 30.960 49.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32836 ATOM 32832 HW1 SOL 420 61.290 31.950 49.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32837 ATOM 32833 HW2 SOL 420 61.530 30.800 48.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32838 ATOM 32834 OW SOL 421 69.320 34.210 44.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32839 ATOM 32835 HW1 SOL 421 69.090 33.540 45.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32840 ATOM 32836 HW2 SOL 421 69.150 33.810 43.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32841 ATOM 32837 OW SOL 422 65.520 26.310 42.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32842 ATOM 32838 HW1 SOL 422 66.330 26.820 43.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32843 ATOM 32839 HW2 SOL 422 65.670 25.330 43.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32844 ATOM 32840 OW SOL 423 72.370 26.280 38.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32845 ATOM 32841 HW1 SOL 423 72.400 26.160 37.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32846 ATOM 32842 HW2 SOL 423 72.350 25.380 39.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32847 ATOM 32843 OW SOL 424 64.290 27.920 48.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32848 ATOM 32844 HW1 SOL 424 63.880 28.130 49.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32849 ATOM 32845 HW2 SOL 424 64.490 28.780 48.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32850 ATOM 32846 OW SOL 425 65.000 24.710 54.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32851 ATOM 32847 HW1 SOL 425 64.970 25.210 55.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32852 ATOM 32848 HW2 SOL 425 64.780 25.320 53.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32853 ATOM 32849 OW SOL 426 62.000 28.350 42.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32854 ATOM 32850 HW1 SOL 426 61.940 27.370 42.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32855 ATOM 32851 HW2 SOL 426 61.320 28.850 42.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32856 ATOM 32852 OW SOL 427 61.640 29.710 56.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32857 ATOM 32853 HW1 SOL 427 61.110 30.100 56.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32858 ATOM 32854 HW2 SOL 427 61.120 29.780 55.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32859 ATOM 32855 OW SOL 428 57.540 32.830 47.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32860 ATOM 32856 HW1 SOL 428 58.000 31.970 47.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32861 ATOM 32857 HW2 SOL 428 57.460 33.390 48.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32862 ATOM 32858 OW SOL 429 70.270 33.740 50.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32863 ATOM 32859 HW1 SOL 429 70.830 32.930 50.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32864 ATOM 32860 HW2 SOL 429 70.140 34.210 51.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32865 ATOM 32861 OW SOL 430 59.360 23.720 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32866 ATOM 32862 HW1 SOL 430 59.720 23.930 50.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32867 ATOM 32863 HW2 SOL 430 58.420 24.050 49.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32868 ATOM 32864 OW SOL 431 56.950 34.930 41.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32869 ATOM 32865 HW1 SOL 431 56.600 35.830 42.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32870 ATOM 32866 HW2 SOL 431 57.620 35.020 41.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32871 ATOM 32867 OW SOL 432 67.370 32.900 52.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32872 ATOM 32868 HW1 SOL 432 67.390 33.750 52.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32873 ATOM 32869 HW2 SOL 432 66.450 32.760 51.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32874 ATOM 32870 OW SOL 433 57.830 34.220 44.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32875 ATOM 32871 HW1 SOL 433 57.660 34.040 45.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32876 ATOM 32872 HW2 SOL 433 57.650 35.180 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32877 ATOM 32873 OW SOL 434 58.970 30.530 48.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32878 ATOM 32874 HW1 SOL 434 58.970 29.570 48.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32879 ATOM 32875 HW2 SOL 434 59.780 30.700 49.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32880 ATOM 32876 OW SOL 435 60.230 36.090 50.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32881 ATOM 32877 HW1 SOL 435 59.700 35.870 51.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32882 ATOM 32878 HW2 SOL 435 60.960 36.730 50.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32883 ATOM 32879 OW SOL 436 62.030 27.450 37.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32884 ATOM 32880 HW1 SOL 436 62.390 28.370 37.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32885 ATOM 32881 HW2 SOL 436 61.030 27.480 37.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32886 ATOM 32882 OW SOL 437 71.480 22.270 50.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32887 ATOM 32883 HW1 SOL 437 71.470 21.290 49.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32888 ATOM 32884 HW2 SOL 437 71.890 22.770 49.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32889 ATOM 32885 OW SOL 438 56.920 24.540 42.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32890 ATOM 32886 HW1 SOL 438 57.280 23.800 43.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32891 ATOM 32887 HW2 SOL 438 56.940 25.400 43.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32892 ATOM 32888 OW SOL 439 54.700 34.520 39.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32893 ATOM 32889 HW1 SOL 439 55.480 34.050 39.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32894 ATOM 32890 HW2 SOL 439 54.880 34.710 40.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32895 ATOM 32891 OW SOL 440 71.700 30.190 41.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32896 ATOM 32892 HW1 SOL 440 72.260 30.100 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32897 ATOM 32893 HW2 SOL 440 72.070 29.600 40.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32898 ATOM 32894 OW SOL 441 56.020 24.500 50.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32899 ATOM 32895 HW1 SOL 441 56.130 25.100 49.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32900 ATOM 32896 HW2 SOL 441 55.390 24.910 51.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32901 ATOM 32897 OW SOL 442 60.310 33.200 45.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32902 ATOM 32898 HW1 SOL 442 60.840 33.650 44.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32903 ATOM 32899 HW2 SOL 442 59.340 33.170 44.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32904 ATOM 32900 OW SOL 443 66.730 29.550 51.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32905 ATOM 32901 HW1 SOL 443 66.990 29.280 50.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32906 ATOM 32902 HW2 SOL 443 67.530 29.930 51.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32907 ATOM 32903 OW SOL 444 65.090 17.940 39.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32908 ATOM 32904 HW1 SOL 444 65.510 18.800 39.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32909 ATOM 32905 HW2 SOL 444 64.290 18.130 38.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32910 ATOM 32906 OW SOL 445 59.170 26.560 51.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32911 ATOM 32907 HW1 SOL 445 59.850 26.640 50.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32912 ATOM 32908 HW2 SOL 445 58.840 27.470 51.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32913 ATOM 32909 OW SOL 446 70.480 32.280 37.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32914 ATOM 32910 HW1 SOL 446 70.430 32.220 38.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32915 ATOM 32911 HW2 SOL 446 71.410 32.100 36.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32916 ATOM 32912 OW SOL 447 66.590 36.720 54.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32917 ATOM 32913 HW1 SOL 447 65.940 37.430 54.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32918 ATOM 32914 HW2 SOL 447 66.220 35.820 54.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32919 ATOM 32915 OW SOL 448 57.910 20.640 55.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32920 ATOM 32916 HW1 SOL 448 58.350 21.440 56.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32921 ATOM 32917 HW2 SOL 448 57.690 20.850 54.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32922 ATOM 32918 OW SOL 449 68.080 32.090 46.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32923 ATOM 32919 HW1 SOL 449 68.270 31.720 47.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32924 ATOM 32920 HW2 SOL 449 68.160 31.370 45.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32925 ATOM 32921 OW SOL 450 1.420 37.190 42.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32926 ATOM 32922 HW1 SOL 450 0.740 36.950 41.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32927 ATOM 32923 HW2 SOL 450 2.210 36.590 42.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32928 ATOM 32924 OW SOL 451 63.460 25.250 36.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32929 ATOM 32925 HW1 SOL 451 64.250 25.540 36.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32930 ATOM 32926 HW2 SOL 451 62.900 26.050 37.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32931 ATOM 32927 OW SOL 452 68.420 21.930 46.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32932 ATOM 32928 HW1 SOL 452 67.520 21.570 46.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32933 ATOM 32929 HW2 SOL 452 68.320 22.430 47.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32934 ATOM 32930 OW SOL 453 72.420 36.030 39.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32935 ATOM 32931 HW1 SOL 453 71.460 36.170 39.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32936 ATOM 32932 HW2 SOL 453 72.560 35.060 40.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32937 ATOM 32933 OW SOL 454 62.870 24.540 50.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32938 ATOM 32934 HW1 SOL 454 62.520 24.110 51.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32939 ATOM 32935 HW2 SOL 454 63.260 23.830 49.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32940 ATOM 32936 OW SOL 455 69.000 23.990 53.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32941 ATOM 32937 HW1 SOL 455 69.190 24.050 54.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32942 ATOM 32938 HW2 SOL 455 69.690 23.400 53.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32943 ATOM 32939 OW SOL 456 64.540 28.750 52.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32944 ATOM 32940 HW1 SOL 456 64.550 27.750 52.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32945 ATOM 32941 HW2 SOL 456 65.390 29.100 52.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32946 ATOM 32942 OW SOL 457 65.260 23.940 47.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32947 ATOM 32943 HW1 SOL 457 64.750 24.500 46.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32948 ATOM 32944 HW2 SOL 457 65.150 22.970 46.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32949 ATOM 32945 OW SOL 458 64.580 26.720 40.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32950 ATOM 32946 HW1 SOL 458 64.860 26.520 41.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32951 ATOM 32947 HW2 SOL 458 64.230 25.890 40.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32952 ATOM 32948 OW SOL 459 57.180 26.940 44.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32953 ATOM 32949 HW1 SOL 459 58.110 26.730 43.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32954 ATOM 32950 HW2 SOL 459 57.240 27.530 44.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32955 ATOM 32951 OW SOL 460 56.300 36.210 52.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32956 ATOM 32952 HW1 SOL 460 55.900 35.860 53.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32957 ATOM 32953 HW2 SOL 460 55.630 36.120 52.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32958 ATOM 32954 OW SOL 461 64.230 21.060 37.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32959 ATOM 32955 HW1 SOL 461 65.220 21.030 37.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32960 ATOM 32956 HW2 SOL 461 63.890 20.130 37.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32961 ATOM 32957 OW SOL 462 71.960 27.130 53.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32962 ATOM 32958 HW1 SOL 462 72.340 27.830 54.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32963 ATOM 32959 HW2 SOL 462 71.070 27.440 53.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32964 ATOM 32960 OW SOL 463 69.130 30.180 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32965 ATOM 32961 HW1 SOL 463 70.010 29.890 42.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32966 ATOM 32962 HW2 SOL 463 69.120 31.180 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32967 ATOM 32963 OW SOL 464 61.350 20.740 46.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32968 ATOM 32964 HW1 SOL 464 61.480 21.330 46.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32969 ATOM 32965 HW2 SOL 464 62.160 20.790 45.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32970 ATOM 32966 OW SOL 465 65.730 33.900 42.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32971 ATOM 32967 HW1 SOL 465 65.130 34.170 42.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32972 ATOM 32968 HW2 SOL 465 65.180 33.730 43.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32973 ATOM 32969 OW SOL 466 60.330 36.730 43.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32974 ATOM 32970 HW1 SOL 466 60.630 36.720 44.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32975 ATOM 32971 HW2 SOL 466 60.860 36.080 42.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32976 ATOM 32972 OW SOL 467 70.780 30.290 46.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32977 ATOM 32973 HW1 SOL 467 69.900 30.070 45.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32978 ATOM 32974 HW2 SOL 467 70.720 30.230 47.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32979 ATOM 32975 OW SOL 468 65.380 34.300 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32980 ATOM 32976 HW1 SOL 468 64.880 33.440 53.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32981 ATOM 32977 HW2 SOL 468 64.940 34.920 53.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32982 ATOM 32978 OW SOL 469 58.210 27.830 40.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32983 ATOM 32979 HW1 SOL 469 59.110 28.160 40.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32984 ATOM 32980 HW2 SOL 469 58.110 26.870 40.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32985 ATOM 32981 OW SOL 470 70.730 24.370 45.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32986 ATOM 32982 HW1 SOL 470 70.240 24.460 46.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32987 ATOM 32983 HW2 SOL 470 71.680 24.670 45.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32988 ATOM 32984 OW SOL 471 59.900 31.320 53.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32989 ATOM 32985 HW1 SOL 471 59.400 30.730 53.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32990 ATOM 32986 HW2 SOL 471 59.260 31.940 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32991 ATOM 32987 OW SOL 472 66.170 36.610 39.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32992 ATOM 32988 HW1 SOL 472 67.120 36.920 40.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32993 ATOM 32989 HW2 SOL 472 66.160 35.680 39.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32994 ATOM 32990 OW SOL 473 57.960 19.270 52.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32995 ATOM 32991 HW1 SOL 473 57.590 20.190 52.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32996 ATOM 32992 HW2 SOL 473 57.400 18.620 52.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32997 ATOM 32993 OW SOL 474 58.570 35.320 39.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32998 ATOM 32994 HW1 SOL 474 59.190 35.970 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
32999 ATOM 32995 HW2 SOL 474 59.080 34.750 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33000 ATOM 32996 OW SOL 475 69.930 20.570 39.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33001 ATOM 32997 HW1 SOL 475 69.740 19.720 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33002 ATOM 32998 HW2 SOL 475 69.810 20.430 40.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33003 ATOM 32999 OW SOL 476 59.740 37.070 47.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33004 ATOM 33000 HW1 SOL 476 59.840 36.690 48.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33005 ATOM 33001 HW2 SOL 476 60.440 36.690 47.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33006 ATOM 33002 OW SOL 477 63.730 33.980 44.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33007 ATOM 33003 HW1 SOL 477 63.470 34.440 45.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33008 ATOM 33004 HW2 SOL 477 63.080 34.230 43.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33009 ATOM 33005 OW SOL 478 58.770 25.040 40.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33010 ATOM 33006 HW1 SOL 478 59.630 24.580 40.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33011 ATOM 33007 HW2 SOL 478 58.310 24.530 41.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33012 ATOM 33008 OW SOL 479 71.010 22.340 52.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33013 ATOM 33009 HW1 SOL 479 71.030 21.420 52.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33014 ATOM 33010 HW2 SOL 479 71.210 22.310 51.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33015 ATOM 33011 OW SOL 480 62.870 18.620 37.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33016 ATOM 33012 HW1 SOL 480 62.480 17.700 37.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33017 ATOM 33013 HW2 SOL 480 62.130 19.280 37.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33018 ATOM 33014 OW SOL 481 63.000 20.920 53.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33019 ATOM 33015 HW1 SOL 481 63.590 21.260 54.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33020 ATOM 33016 HW2 SOL 481 63.560 20.540 53.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33021 ATOM 33017 OW SOL 482 65.500 34.550 49.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33022 ATOM 33018 HW1 SOL 482 66.240 34.720 49.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33023 ATOM 33019 HW2 SOL 482 65.580 33.640 50.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33024 ATOM 33020 OW SOL 483 67.300 25.040 51.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33025 ATOM 33021 HW1 SOL 483 67.650 24.570 52.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33026 ATOM 33022 HW2 SOL 483 68.040 25.520 51.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33027 ATOM 33023 OW SOL 484 61.850 31.340 46.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33028 ATOM 33024 HW1 SOL 484 62.720 31.230 46.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33029 ATOM 33025 HW2 SOL 484 61.160 31.670 46.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33030 ATOM 33026 OW SOL 485 62.810 21.440 43.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33031 ATOM 33027 HW1 SOL 485 62.030 21.030 42.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33032 ATOM 33028 HW2 SOL 485 63.660 21.230 42.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33033 ATOM 33029 OW SOL 486 61.070 20.950 41.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33034 ATOM 33030 HW1 SOL 486 61.710 21.580 40.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33035 ATOM 33031 HW2 SOL 486 60.940 20.160 40.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33036 ATOM 33032 OW SOL 487 69.020 34.690 36.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33037 ATOM 33033 HW1 SOL 487 69.700 33.950 36.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33038 ATOM 33034 HW2 SOL 487 68.330 34.490 37.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33039 ATOM 33035 OW SOL 488 58.630 16.430 41.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33040 ATOM 33036 HW1 SOL 488 58.570 17.420 41.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33041 ATOM 33037 HW2 SOL 488 59.550 16.180 41.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33042 ATOM 33038 OW SOL 489 66.430 20.220 39.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33043 ATOM 33039 HW1 SOL 489 67.110 19.900 40.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33044 ATOM 33040 HW2 SOL 489 66.870 20.410 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33045 ATOM 33041 OW SOL 490 65.010 26.140 52.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33046 ATOM 33042 HW1 SOL 490 64.420 25.800 51.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33047 ATOM 33043 HW2 SOL 490 65.950 25.840 52.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33048 ATOM 33044 OW SOL 491 67.160 34.550 47.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33049 ATOM 33045 HW1 SOL 491 67.700 35.080 46.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33050 ATOM 33046 HW2 SOL 491 67.260 33.580 47.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33051 ATOM 33047 OW SOL 492 60.000 30.610 42.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33052 ATOM 33048 HW1 SOL 492 59.750 29.940 43.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33053 ATOM 33049 HW2 SOL 492 59.280 31.300 42.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33054 ATOM 33050 OW SOL 493 69.710 37.950 42.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33055 ATOM 33051 HW1 SOL 493 70.530 37.760 43.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33056 ATOM 33052 HW2 SOL 493 68.990 38.310 43.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33057 ATOM 33053 OW SOL 494 66.450 23.790 35.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33058 ATOM 33054 HW1 SOL 494 66.020 24.670 35.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33059 ATOM 33055 HW2 SOL 494 67.340 23.930 35.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33060 ATOM 33056 OW SOL 495 55.240 21.670 50.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33061 ATOM 33057 HW1 SOL 495 55.920 20.930 50.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33062 ATOM 33058 HW2 SOL 495 55.670 22.530 50.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33063 ATOM 33059 OW SOL 496 61.200 22.260 48.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33064 ATOM 33060 HW1 SOL 496 61.310 23.010 47.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33065 ATOM 33061 HW2 SOL 496 60.480 22.480 49.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33066 ATOM 33062 OW SOL 497 64.650 21.850 41.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33067 ATOM 33063 HW1 SOL 497 64.650 22.670 40.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33068 ATOM 33064 HW2 SOL 497 65.170 21.130 40.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33069 ATOM 33065 OW SOL 498 66.930 20.560 43.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33070 ATOM 33066 HW1 SOL 498 67.450 21.380 43.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33071 ATOM 33067 HW2 SOL 498 67.410 20.100 42.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33072 ATOM 33068 OW SOL 499 68.280 29.500 45.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33073 ATOM 33069 HW1 SOL 499 68.180 28.630 45.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33074 ATOM 33070 HW2 SOL 499 68.250 29.320 44.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33075 ATOM 33071 OW SOL 500 69.930 24.800 47.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33076 ATOM 33072 HW1 SOL 500 69.290 24.280 48.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33077 ATOM 33073 HW2 SOL 500 70.760 24.990 48.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33078 ATOM 33074 OW SOL 501 0.560 28.540 40.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33079 ATOM 33075 HW1 SOL 501 1.170 28.400 40.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33080 ATOM 33076 HW2 SOL 501 0.190 27.660 39.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33081 ATOM 33077 OW SOL 502 60.130 33.700 37.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33082 ATOM 33078 HW1 SOL 502 60.020 33.010 37.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33083 ATOM 33079 HW2 SOL 502 60.970 34.220 37.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33084 ATOM 33080 OW SOL 503 69.160 26.230 38.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33085 ATOM 33081 HW1 SOL 503 68.800 25.800 39.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33086 ATOM 33082 HW2 SOL 503 70.150 26.270 38.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33087 ATOM 33083 OW SOL 504 59.830 18.780 39.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33088 ATOM 33084 HW1 SOL 504 60.120 17.830 39.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33089 ATOM 33085 HW2 SOL 504 59.950 19.250 38.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33090 ATOM 33086 OW SOL 505 65.490 31.900 50.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33091 ATOM 33087 HW1 SOL 505 64.530 32.080 50.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33092 ATOM 33088 HW2 SOL 505 65.720 30.960 50.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33093 ATOM 33089 OW SOL 506 71.430 31.810 53.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33094 ATOM 33090 HW1 SOL 506 72.100 32.240 52.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33095 ATOM 33091 HW2 SOL 506 71.270 32.400 54.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33096 ATOM 33092 OW SOL 507 65.210 30.110 47.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33097 ATOM 33093 HW1 SOL 507 65.560 30.870 48.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33098 ATOM 33094 HW2 SOL 507 64.850 30.450 46.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33099 ATOM 33095 OW SOL 508 70.420 30.660 48.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33100 ATOM 33096 HW1 SOL 508 71.280 31.150 49.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33101 ATOM 33097 HW2 SOL 508 69.680 31.170 49.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33102 ATOM 33098 OW SOL 509 64.150 20.780 50.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33103 ATOM 33099 HW1 SOL 509 64.510 20.290 49.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33104 ATOM 33100 HW2 SOL 509 64.700 21.600 50.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33105 ATOM 33101 OW SOL 510 64.310 29.210 55.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33106 ATOM 33102 HW1 SOL 510 63.370 29.300 55.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33107 ATOM 33103 HW2 SOL 510 64.320 29.030 54.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33108 ATOM 33104 OW SOL 511 61.350 28.580 39.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33109 ATOM 33105 HW1 SOL 511 61.790 28.680 40.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33110 ATOM 33106 HW2 SOL 511 61.970 28.100 39.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33111 ATOM 33107 OW SOL 512 59.430 27.900 47.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33112 ATOM 33108 HW1 SOL 512 60.080 27.820 48.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33113 ATOM 33109 HW2 SOL 512 58.670 27.270 47.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33114 ATOM 33110 OW SOL 513 65.660 22.680 51.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33115 ATOM 33111 HW1 SOL 513 66.200 22.180 52.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33116 ATOM 33112 HW2 SOL 513 65.840 23.660 51.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33117 ATOM 33113 OW SOL 514 55.180 34.310 49.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33118 ATOM 33114 HW1 SOL 514 54.670 34.510 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33119 ATOM 33115 HW2 SOL 514 56.120 34.670 49.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33120 ATOM 33116 OW SOL 515 58.080 32.400 42.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33121 ATOM 33117 HW1 SOL 515 57.680 33.160 43.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33122 ATOM 33118 HW2 SOL 515 58.620 32.750 41.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33123 ATOM 33119 OW SOL 516 59.670 22.470 42.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33124 ATOM 33120 HW1 SOL 516 60.270 23.060 43.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33125 ATOM 33121 HW2 SOL 516 60.230 21.930 42.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33126 ATOM 33122 OW SOL 517 68.270 32.990 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33127 ATOM 33123 HW1 SOL 517 68.670 33.760 41.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33128 ATOM 33124 HW2 SOL 517 67.340 33.220 42.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33129 ATOM 33125 OW SOL 518 68.230 32.270 49.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33130 ATOM 33126 HW1 SOL 518 68.640 33.000 49.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33131 ATOM 33127 HW2 SOL 518 67.340 32.030 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33132 ATOM 33128 OW SOL 519 70.380 24.690 42.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33133 ATOM 33129 HW1 SOL 519 69.790 25.340 42.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33134 ATOM 33130 HW2 SOL 519 70.390 24.890 43.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33135 ATOM 33131 OW SOL 520 57.830 34.600 49.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33136 ATOM 33132 HW1 SOL 520 58.570 35.240 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33137 ATOM 33133 HW2 SOL 520 57.840 33.850 50.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33138 ATOM 33134 OW SOL 521 60.320 24.370 52.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33139 ATOM 33135 HW1 SOL 521 60.170 25.340 52.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33140 ATOM 33136 HW2 SOL 521 61.210 24.230 52.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33141 ATOM 33137 OW SOL 522 0.280 29.810 54.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33142 ATOM 33138 HW1 SOL 522 1.010 30.380 55.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33143 ATOM 33139 HW2 SOL 522 -0.220 30.340 54.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33144 ATOM 33140 OW SOL 523 64.480 18.020 55.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33145 ATOM 33141 HW1 SOL 523 65.130 17.580 56.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33146 ATOM 33142 HW2 SOL 523 64.910 18.190 54.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33147 ATOM 33143 OW SOL 524 59.960 18.960 54.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33148 ATOM 33144 HW1 SOL 524 59.220 19.450 53.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33149 ATOM 33145 HW2 SOL 524 59.630 18.560 54.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33150 ATOM 33146 OW SOL 525 62.310 26.900 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33151 ATOM 33147 HW1 SOL 525 63.140 27.120 47.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33152 ATOM 33148 HW2 SOL 525 61.620 27.600 46.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33153 ATOM 33149 OW SOL 526 68.260 27.310 46.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33154 ATOM 33150 HW1 SOL 526 67.380 26.970 47.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33155 ATOM 33151 HW2 SOL 526 68.970 26.630 47.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33156 ATOM 33152 OW SOL 527 67.660 25.500 40.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33157 ATOM 33153 HW1 SOL 527 67.650 24.510 40.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33158 ATOM 33154 HW2 SOL 527 66.730 25.840 40.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33159 ATOM 33155 OW SOL 528 56.980 19.740 49.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33160 ATOM 33156 HW1 SOL 528 57.400 19.430 50.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33161 ATOM 33157 HW2 SOL 528 57.690 19.900 49.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33162 ATOM 33158 OW SOL 529 54.720 30.850 50.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33163 ATOM 33159 HW1 SOL 529 54.180 30.640 50.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33164 ATOM 33160 HW2 SOL 529 54.780 31.840 49.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33165 ATOM 33161 OW SOL 530 61.600 23.790 44.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33166 ATOM 33162 HW1 SOL 530 62.130 22.970 43.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33167 ATOM 33163 HW2 SOL 530 62.200 24.580 44.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33168 ATOM 33164 OW SOL 531 71.860 24.140 40.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33169 ATOM 33165 HW1 SOL 531 72.670 23.560 40.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33170 ATOM 33166 HW2 SOL 531 71.320 24.070 41.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33171 ATOM 33167 OW SOL 532 65.780 23.700 43.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33172 ATOM 33168 HW1 SOL 532 66.760 23.510 43.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33173 ATOM 33169 HW2 SOL 532 65.300 22.890 42.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33174 ATOM 33170 OW SOL 533 62.580 35.340 54.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33175 ATOM 33171 HW1 SOL 533 62.840 35.650 53.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33176 ATOM 33172 HW2 SOL 533 62.500 34.340 54.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33177 ATOM 33173 OW SOL 534 58.360 26.560 53.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33178 ATOM 33174 HW1 SOL 534 58.210 25.820 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33179 ATOM 33175 HW2 SOL 534 58.650 26.180 53.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33180 ATOM 33176 OW SOL 535 70.720 22.810 38.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33181 ATOM 33177 HW1 SOL 535 70.460 21.910 38.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33182 ATOM 33178 HW2 SOL 535 71.140 23.350 38.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33183 ATOM 33179 OW SOL 536 67.660 28.060 36.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33184 ATOM 33180 HW1 SOL 536 68.230 27.550 37.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33185 ATOM 33181 HW2 SOL 536 68.090 28.930 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33186 ATOM 33182 OW SOL 537 64.180 31.260 45.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33187 ATOM 33183 HW1 SOL 537 64.390 30.880 44.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33188 ATOM 33184 HW2 SOL 537 64.070 32.260 44.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33189 ATOM 33185 OW SOL 538 59.780 28.560 44.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33190 ATOM 33186 HW1 SOL 538 59.760 27.720 44.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33191 ATOM 33187 HW2 SOL 538 59.580 28.340 45.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33192 ATOM 33188 OW SOL 539 56.220 22.920 46.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33193 ATOM 33189 HW1 SOL 539 56.050 23.150 45.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33194 ATOM 33190 HW2 SOL 539 56.280 21.920 46.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33195 ATOM 33191 OW SOL 540 67.270 21.690 53.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33196 ATOM 33192 HW1 SOL 540 67.220 21.190 54.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33197 ATOM 33193 HW2 SOL 540 67.710 22.580 53.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33198 ATOM 33194 OW SOL 541 67.890 19.150 52.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33199 ATOM 33195 HW1 SOL 541 67.800 20.140 52.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33200 ATOM 33196 HW2 SOL 541 67.770 18.970 51.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33201 ATOM 33197 OW SOL 542 54.930 30.260 37.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33202 ATOM 33198 HW1 SOL 542 55.330 29.600 36.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33203 ATOM 33199 HW2 SOL 542 54.960 29.900 38.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33204 ATOM 33200 OW SOL 543 54.620 36.480 45.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33205 ATOM 33201 HW1 SOL 543 54.230 35.680 45.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33206 ATOM 33202 HW2 SOL 543 55.580 36.580 45.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33207 ATOM 33203 OW SOL 544 61.460 35.670 46.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33208 ATOM 33204 HW1 SOL 544 62.250 35.660 46.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33209 ATOM 33205 HW2 SOL 544 61.080 34.740 46.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33210 ATOM 33206 OW SOL 545 66.450 26.220 48.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33211 ATOM 33207 HW1 SOL 545 66.120 25.450 47.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33212 ATOM 33208 HW2 SOL 545 65.680 26.780 48.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33213 ATOM 33209 OW SOL 546 56.580 26.370 48.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33214 ATOM 33210 HW1 SOL 546 56.040 26.840 47.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33215 ATOM 33211 HW2 SOL 546 57.190 25.720 47.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33216 ATOM 33212 OW SOL 547 57.680 23.660 52.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33217 ATOM 33213 HW1 SOL 547 58.620 23.870 52.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33218 ATOM 33214 HW2 SOL 547 57.050 24.070 51.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33219 ATOM 33215 OW SOL 548 69.190 27.990 52.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33220 ATOM 33216 HW1 SOL 548 69.020 28.970 52.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33221 ATOM 33217 HW2 SOL 548 68.990 27.680 51.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33222 ATOM 33218 OW SOL 549 64.640 23.460 38.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33223 ATOM 33219 HW1 SOL 549 64.230 22.630 38.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33224 ATOM 33220 HW2 SOL 549 64.390 24.240 38.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33225 ATOM 33221 OW SOL 550 56.290 32.740 53.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33226 ATOM 33222 HW1 SOL 550 56.200 33.550 54.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33227 ATOM 33223 HW2 SOL 550 55.790 31.980 53.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33228 ATOM 33224 OW SOL 551 61.520 24.200 46.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33229 ATOM 33225 HW1 SOL 551 61.650 25.180 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33230 ATOM 33226 HW2 SOL 551 61.380 24.060 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33231 ATOM 33227 OW SOL 552 64.420 35.860 51.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33232 ATOM 33228 HW1 SOL 552 64.910 35.300 51.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33233 ATOM 33229 HW2 SOL 552 64.390 36.800 51.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33234 ATOM 33230 OW SOL 553 61.980 22.820 36.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33235 ATOM 33231 HW1 SOL 553 62.540 23.580 36.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33236 ATOM 33232 HW2 SOL 553 62.560 22.110 36.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33237 ATOM 33233 OW SOL 554 58.160 29.630 51.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33238 ATOM 33234 HW1 SOL 554 57.630 29.330 52.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33239 ATOM 33235 HW2 SOL 554 57.600 29.560 50.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33240 ATOM 33236 OW SOL 555 67.440 29.200 48.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33241 ATOM 33237 HW1 SOL 555 68.190 28.780 48.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33242 ATOM 33238 HW2 SOL 555 66.620 29.250 48.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33243 ATOM 33239 OW SOL 556 70.410 31.930 39.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33244 ATOM 33240 HW1 SOL 556 71.020 31.370 40.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33245 ATOM 33241 HW2 SOL 556 69.510 31.490 39.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33246 ATOM 33242 OW SOL 557 71.820 35.920 50.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33247 ATOM 33243 HW1 SOL 557 72.620 36.250 49.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33248 ATOM 33244 HW2 SOL 557 71.400 35.150 49.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33249 ATOM 33245 OW SOL 558 68.810 36.450 46.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33250 ATOM 33246 HW1 SOL 558 69.610 37.040 46.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33251 ATOM 33247 HW2 SOL 558 69.010 35.690 45.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33252 ATOM 33248 OW SOL 559 56.210 28.570 50.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33253 ATOM 33249 HW1 SOL 559 55.680 29.410 50.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33254 ATOM 33250 HW2 SOL 559 56.470 28.230 49.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33255 ATOM 33251 OW SOL 560 60.490 36.970 54.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33256 ATOM 33252 HW1 SOL 560 59.780 36.460 53.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33257 ATOM 33253 HW2 SOL 560 61.180 36.340 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33258 ATOM 33254 OW SOL 561 69.570 35.140 41.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33259 ATOM 33255 HW1 SOL 561 69.720 35.570 40.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33260 ATOM 33256 HW2 SOL 561 69.630 35.830 42.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33261 ATOM 33257 OW SOL 562 55.170 35.420 55.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33262 ATOM 33258 HW1 SOL 562 55.130 34.670 55.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33263 ATOM 33259 HW2 SOL 562 55.670 36.190 55.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33264 ATOM 33260 OW SOL 563 67.910 27.570 42.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33265 ATOM 33261 HW1 SOL 563 68.010 26.910 42.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33266 ATOM 33262 HW2 SOL 563 68.330 28.440 42.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33267 ATOM 33263 OW SOL 564 63.360 32.850 51.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33268 ATOM 33264 HW1 SOL 564 62.880 32.800 52.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33269 ATOM 33265 HW2 SOL 564 62.730 33.180 51.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33270 ATOM 33266 OW SOL 565 63.080 34.230 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33271 ATOM 33267 HW1 SOL 565 63.680 34.340 37.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33272 ATOM 33268 HW2 SOL 565 63.180 33.310 38.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33273 ATOM 33269 OW SOL 566 57.500 21.870 44.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33274 ATOM 33270 HW1 SOL 566 58.380 21.830 43.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33275 ATOM 33271 HW2 SOL 566 57.580 21.440 44.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33276 ATOM 33272 OW SOL 567 66.520 34.370 38.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33277 ATOM 33273 HW1 SOL 567 66.520 33.640 39.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33278 ATOM 33274 HW2 SOL 567 65.950 34.090 37.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33279 ATOM 33275 OW SOL 568 62.760 28.790 50.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33280 ATOM 33276 HW1 SOL 568 62.210 29.560 50.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33281 ATOM 33277 HW2 SOL 568 63.110 28.980 51.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33282 ATOM 33278 OW SOL 569 65.720 29.280 39.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33283 ATOM 33279 HW1 SOL 569 65.690 29.550 38.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33284 ATOM 33280 HW2 SOL 569 65.290 28.380 40.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33285 ATOM 33281 OW SOL 570 68.750 37.580 36.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33286 ATOM 33282 HW1 SOL 570 67.790 37.740 37.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33287 ATOM 33283 HW2 SOL 570 68.870 36.620 36.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33288 ATOM 33284 OW SOL 571 58.150 32.750 51.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33289 ATOM 33285 HW1 SOL 571 57.330 32.680 52.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33290 ATOM 33286 HW2 SOL 571 58.510 31.840 51.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33291 ATOM 33287 OW SOL 572 64.800 29.980 42.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33292 ATOM 33288 HW1 SOL 572 64.780 28.980 42.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33293 ATOM 33289 HW2 SOL 572 65.550 30.350 42.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33294 ATOM 33290 OW SOL 573 65.230 21.320 46.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33295 ATOM 33291 HW1 SOL 573 65.480 20.820 45.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33296 ATOM 33292 HW2 SOL 573 65.070 20.670 47.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33297 ATOM 33293 OW SOL 574 60.340 32.940 40.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33298 ATOM 33294 HW1 SOL 574 60.620 31.980 40.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33299 ATOM 33295 HW2 SOL 574 60.150 33.250 39.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33300 ATOM 33296 OW SOL 575 56.430 33.000 38.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33301 ATOM 33297 HW1 SOL 575 57.060 33.170 37.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33302 ATOM 33298 HW2 SOL 575 55.810 32.250 38.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33303 ATOM 33299 OW SOL 576 56.830 29.040 54.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33304 ATOM 33300 HW1 SOL 576 55.890 28.830 54.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33305 ATOM 33301 HW2 SOL 576 57.400 28.220 54.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33306 ATOM 33302 OW SOL 577 60.980 18.510 50.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33307 ATOM 33303 HW1 SOL 577 60.550 18.120 51.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33308 ATOM 33304 HW2 SOL 577 61.200 19.470 50.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33309 ATOM 33305 OW SOL 578 55.260 23.400 35.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33310 ATOM 33306 HW1 SOL 578 54.990 22.940 35.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33311 ATOM 33307 HW2 SOL 578 56.210 23.200 36.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33312 ATOM 33308 OW SOL 579 69.160 26.580 50.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33313 ATOM 33309 HW1 SOL 579 68.500 26.650 49.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33314 ATOM 33310 HW2 SOL 579 70.000 27.060 50.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33315 ATOM 33311 OW SOL 580 58.640 19.100 42.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33316 ATOM 33312 HW1 SOL 580 59.400 19.280 42.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33317 ATOM 33313 HW2 SOL 580 58.850 19.470 41.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33318 ATOM 33314 OW SOL 581 66.580 31.810 40.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33319 ATOM 33315 HW1 SOL 581 66.410 30.850 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33320 ATOM 33316 HW2 SOL 581 67.210 31.890 41.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33321 ATOM 33317 OW SOL 582 61.360 26.690 49.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33322 ATOM 33318 HW1 SOL 582 61.970 27.330 50.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33323 ATOM 33319 HW2 SOL 582 61.750 25.770 49.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33324 ATOM 33320 OW SOL 583 70.860 38.370 46.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33325 ATOM 33321 HW1 SOL 583 71.250 38.320 45.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33326 ATOM 33322 HW2 SOL 583 71.600 38.530 47.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33327 ATOM 33323 OW SOL 584 62.820 23.630 53.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33328 ATOM 33324 HW1 SOL 584 63.670 23.980 53.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33329 ATOM 33325 HW2 SOL 584 62.650 22.710 53.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33330 ATOM 33326 OW SOL 585 69.090 30.920 52.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33331 ATOM 33327 HW1 SOL 585 68.580 31.770 52.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33332 ATOM 33328 HW2 SOL 585 70.010 31.080 52.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33333 ATOM 33329 OW SOL 586 58.720 35.310 52.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33334 ATOM 33330 HW1 SOL 586 57.810 35.710 52.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33335 ATOM 33331 HW2 SOL 586 58.620 34.330 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33336 ATOM 33332 OW SOL 587 71.020 28.050 48.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33337 ATOM 33333 HW1 SOL 587 71.890 28.060 48.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33338 ATOM 33334 HW2 SOL 587 70.670 28.980 49.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33339 ATOM 33335 OW SOL 588 67.890 22.720 40.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33340 ATOM 33336 HW1 SOL 588 67.180 22.120 40.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33341 ATOM 33337 HW2 SOL 588 68.730 22.200 41.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33342 ATOM 33338 OW SOL 589 59.890 26.210 43.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33343 ATOM 33339 HW1 SOL 589 60.430 25.450 43.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33344 ATOM 33340 HW2 SOL 589 59.810 26.150 42.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33345 ATOM 33341 OW SOL 590 0.190 29.320 51.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33346 ATOM 33342 HW1 SOL 590 1.020 28.890 52.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33347 ATOM 33343 HW2 SOL 590 -0.500 28.630 51.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33348 ATOM 33344 OW SOL 591 63.610 31.970 39.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33349 ATOM 33345 HW1 SOL 591 63.060 31.980 40.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33350 ATOM 33346 HW2 SOL 591 64.500 31.560 39.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33351 ATOM 33347 OW SOL 592 63.650 35.460 47.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33352 ATOM 33348 HW1 SOL 592 64.020 36.330 47.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33353 ATOM 33349 HW2 SOL 592 64.160 35.170 48.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33354 ATOM 33350 OW SOL 593 62.780 26.120 43.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33355 ATOM 33351 HW1 SOL 593 63.750 26.130 43.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33356 ATOM 33352 HW2 SOL 593 62.600 26.750 44.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33357 ATOM 33353 OW SOL 594 65.670 29.740 37.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33358 ATOM 33354 HW1 SOL 594 65.210 30.050 36.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33359 ATOM 33355 HW2 SOL 594 66.360 29.050 37.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33360 ATOM 33356 OW SOL 595 71.710 35.000 46.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33361 ATOM 33357 HW1 SOL 595 70.800 34.940 45.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33362 ATOM 33358 HW2 SOL 595 72.060 34.070 46.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33363 ATOM 33359 OW SOL 596 57.780 31.260 56.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33364 ATOM 33360 HW1 SOL 596 57.720 30.520 55.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33365 ATOM 33361 HW2 SOL 596 56.930 31.320 56.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33366 ATOM 33362 OW SOL 597 56.440 30.340 43.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33367 ATOM 33363 HW1 SOL 597 55.500 30.170 43.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33368 ATOM 33364 HW2 SOL 597 56.870 30.980 43.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33369 ATOM 33365 OW SOL 598 62.070 32.710 54.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33370 ATOM 33366 HW1 SOL 598 61.290 32.130 54.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33371 ATOM 33367 HW2 SOL 598 62.390 32.550 55.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33372 ATOM 33368 OW SOL 599 72.330 19.620 49.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33373 ATOM 33369 HW1 SOL 599 71.940 19.070 50.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33374 ATOM 33370 HW2 SOL 599 73.320 19.640 49.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33375 ATOM 33371 OW SOL 600 61.280 23.880 39.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33376 ATOM 33372 HW1 SOL 600 62.020 24.210 38.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33377 ATOM 33373 HW2 SOL 600 60.570 23.460 38.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33378 ATOM 33374 OW SOL 601 58.440 24.700 47.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33379 ATOM 33375 HW1 SOL 601 59.160 24.470 48.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33380 ATOM 33376 HW2 SOL 601 57.990 23.860 47.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33381 ATOM 33377 OW SOL 602 61.790 34.650 42.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33382 ATOM 33378 HW1 SOL 602 62.490 34.890 41.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33383 ATOM 33379 HW2 SOL 602 61.210 33.920 42.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33384 ATOM 33380 OW SOL 603 67.710 23.340 48.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33385 ATOM 33381 HW1 SOL 603 67.710 23.560 49.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33386 ATOM 33382 HW2 SOL 603 66.820 23.570 48.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33387 ATOM 33383 OW SOL 604 65.480 19.130 48.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33388 ATOM 33384 HW1 SOL 604 65.440 18.430 47.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33389 ATOM 33385 HW2 SOL 604 66.370 19.110 48.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33390 ATOM 33386 OW SOL 605 62.480 31.350 42.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33391 ATOM 33387 HW1 SOL 605 63.250 30.780 42.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33392 ATOM 33388 HW2 SOL 605 61.640 30.960 42.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33393 ATOM 33389 OW SOL 606 61.650 33.680 49.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33394 ATOM 33390 HW1 SOL 606 60.900 34.280 50.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33395 ATOM 33391 HW2 SOL 606 62.200 34.130 49.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33396 ATOM 33392 OW SOL 607 66.860 21.300 36.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33397 ATOM 33393 HW1 SOL 607 67.170 20.770 36.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33398 ATOM 33394 HW2 SOL 607 66.850 22.270 36.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33399 ATOM 33395 OW SOL 608 68.230 22.860 44.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33400 ATOM 33396 HW1 SOL 608 68.940 23.360 43.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33401 ATOM 33397 HW2 SOL 608 68.530 22.660 45.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33402 ATOM 33398 OW SOL 609 70.510 20.250 45.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33403 ATOM 33399 HW1 SOL 609 70.560 19.540 46.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33404 ATOM 33400 HW2 SOL 609 70.140 21.090 46.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33405 ATOM 33401 OW SOL 610 55.740 28.570 39.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33406 ATOM 33402 HW1 SOL 610 56.700 28.580 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33407 ATOM 33403 HW2 SOL 610 55.570 27.770 39.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33408 ATOM 33404 OW SOL 611 63.860 34.710 40.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33409 ATOM 33405 HW1 SOL 611 63.600 34.690 39.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33410 ATOM 33406 HW2 SOL 611 64.070 35.650 41.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33411 ATOM 33407 OW SOL 612 57.880 24.580 55.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33412 ATOM 33408 HW1 SOL 612 57.120 24.030 56.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33413 ATOM 33409 HW2 SOL 612 58.680 24.000 55.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33414 ATOM 33410 OW SOL 613 57.080 21.130 64.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33415 ATOM 33411 HW1 SOL 613 57.200 20.350 64.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33416 ATOM 33412 HW2 SOL 613 56.160 21.510 64.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33417 ATOM 33413 OW SOL 614 55.030 22.200 60.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33418 ATOM 33414 HW1 SOL 614 54.190 22.680 61.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33419 ATOM 33415 HW2 SOL 614 54.810 21.510 60.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33420 ATOM 33416 OW SOL 615 58.820 31.750 66.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33421 ATOM 33417 HW1 SOL 615 58.510 32.160 67.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33422 ATOM 33418 HW2 SOL 615 58.460 32.270 65.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33423 ATOM 33419 OW SOL 616 69.080 33.900 61.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33424 ATOM 33420 HW1 SOL 616 68.270 33.710 62.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33425 ATOM 33421 HW2 SOL 616 68.820 34.040 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33426 ATOM 33422 OW SOL 617 66.790 25.130 61.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33427 ATOM 33423 HW1 SOL 617 65.960 25.550 62.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33428 ATOM 33424 HW2 SOL 617 66.540 24.410 61.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33429 ATOM 33425 OW SOL 618 72.140 24.480 58.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33430 ATOM 33426 HW1 SOL 618 71.740 25.320 58.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33431 ATOM 33427 HW2 SOL 618 72.130 23.760 58.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33432 ATOM 33428 OW SOL 619 61.410 30.710 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33433 ATOM 33429 HW1 SOL 619 60.560 31.220 66.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33434 ATOM 33430 HW2 SOL 619 62.080 30.940 66.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33435 ATOM 33431 OW SOL 620 61.920 23.460 0.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33436 ATOM 33432 HW1 SOL 620 62.480 24.220 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33437 ATOM 33433 HW2 SOL 620 61.930 23.460 -0.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33438 ATOM 33434 OW SOL 621 62.650 28.510 62.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33439 ATOM 33435 HW1 SOL 621 63.160 29.350 63.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33440 ATOM 33436 HW2 SOL 621 61.690 28.650 63.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33441 ATOM 33437 OW SOL 622 57.340 30.260 69.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33442 ATOM 33438 HW1 SOL 622 57.290 29.360 68.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33443 ATOM 33439 HW2 SOL 622 56.640 30.850 68.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33444 ATOM 33440 OW SOL 623 69.800 32.410 69.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33445 ATOM 33441 HW1 SOL 623 69.380 33.310 69.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33446 ATOM 33442 HW2 SOL 623 69.700 31.990 69.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33447 ATOM 33443 OW SOL 624 59.190 21.630 69.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33448 ATOM 33444 HW1 SOL 624 59.440 21.720 70.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33449 ATOM 33445 HW2 SOL 624 58.360 21.080 69.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33450 ATOM 33446 OW SOL 625 57.080 35.480 59.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33451 ATOM 33447 HW1 SOL 625 57.590 36.060 59.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33452 ATOM 33448 HW2 SOL 625 57.650 35.240 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33453 ATOM 33449 OW SOL 626 57.310 33.020 60.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33454 ATOM 33450 HW1 SOL 626 57.130 33.970 59.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33455 ATOM 33451 HW2 SOL 626 56.900 32.400 59.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33456 ATOM 33452 OW SOL 627 58.590 28.900 66.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33457 ATOM 33453 HW1 SOL 627 57.950 28.370 66.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33458 ATOM 33454 HW2 SOL 627 58.600 29.850 66.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33459 ATOM 33455 OW SOL 628 59.270 37.740 68.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33460 ATOM 33456 HW1 SOL 628 58.590 37.400 69.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33461 ATOM 33457 HW2 SOL 628 60.180 37.620 69.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33462 ATOM 33458 OW SOL 629 61.900 27.320 57.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33463 ATOM 33459 HW1 SOL 629 61.950 28.120 57.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33464 ATOM 33460 HW2 SOL 629 62.490 27.470 58.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33465 ATOM 33461 OW SOL 630 72.090 13.240 0.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33466 ATOM 33462 HW1 SOL 630 71.560 12.790 0.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33467 ATOM 33463 HW2 SOL 630 72.350 12.560 -0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33468 ATOM 33464 OW SOL 631 56.580 24.300 61.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33469 ATOM 33465 HW1 SOL 631 55.830 23.760 61.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33470 ATOM 33466 HW2 SOL 631 56.570 24.250 62.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33471 ATOM 33467 OW SOL 632 55.070 33.210 56.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33472 ATOM 33468 HW1 SOL 632 54.210 32.890 56.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33473 ATOM 33469 HW2 SOL 632 55.470 32.490 57.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33474 ATOM 33470 OW SOL 633 0.140 28.160 60.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33475 ATOM 33471 HW1 SOL 633 0.140 27.410 60.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33476 ATOM 33472 HW2 SOL 633 -0.330 27.870 59.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33477 ATOM 33473 OW SOL 634 57.370 25.490 0.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33478 ATOM 33474 HW1 SOL 634 58.210 25.020 0.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33479 ATOM 33475 HW2 SOL 634 57.370 26.420 0.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33480 ATOM 33476 OW SOL 635 60.840 31.310 63.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33481 ATOM 33477 HW1 SOL 635 60.720 30.400 64.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33482 ATOM 33478 HW2 SOL 635 60.370 31.350 62.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33483 ATOM 33479 OW SOL 636 69.320 31.400 71.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33484 ATOM 33480 HW1 SOL 636 70.260 31.210 71.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33485 ATOM 33481 HW2 SOL 636 68.740 30.610 71.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33486 ATOM 33482 OW SOL 637 63.440 19.190 63.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33487 ATOM 33483 HW1 SOL 637 63.800 19.910 63.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33488 ATOM 33484 HW2 SOL 637 62.560 19.490 64.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33489 ATOM 33485 OW SOL 638 57.020 27.750 68.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33490 ATOM 33486 HW1 SOL 638 57.780 27.230 68.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33491 ATOM 33487 HW2 SOL 638 56.210 27.160 68.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33492 ATOM 33488 OW SOL 639 68.730 25.730 59.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33493 ATOM 33489 HW1 SOL 639 68.230 25.770 58.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33494 ATOM 33490 HW2 SOL 639 68.100 25.870 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33495 ATOM 33491 OW SOL 640 68.400 34.720 69.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33496 ATOM 33492 HW1 SOL 640 67.800 35.460 69.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33497 ATOM 33493 HW2 SOL 640 68.220 34.470 70.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33498 ATOM 33494 OW SOL 641 55.920 18.980 72.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33499 ATOM 33495 HW1 SOL 641 55.990 19.460 73.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33500 ATOM 33496 HW2 SOL 641 55.110 18.390 72.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33501 ATOM 33497 OW SOL 642 68.560 32.730 64.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33502 ATOM 33498 HW1 SOL 642 69.110 32.750 65.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33503 ATOM 33499 HW2 SOL 642 68.650 31.840 63.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33504 ATOM 33500 OW SOL 643 70.320 36.250 62.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33505 ATOM 33501 HW1 SOL 643 70.850 36.650 61.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33506 ATOM 33502 HW2 SOL 643 70.160 35.280 62.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33507 ATOM 33503 OW SOL 644 60.660 25.010 57.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33508 ATOM 33504 HW1 SOL 644 61.190 25.830 57.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33509 ATOM 33505 HW2 SOL 644 59.680 25.230 57.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33510 ATOM 33506 OW SOL 645 66.030 24.060 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33511 ATOM 33507 HW1 SOL 645 65.620 24.930 65.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33512 ATOM 33508 HW2 SOL 645 65.640 23.320 66.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33513 ATOM 33509 OW SOL 646 70.940 33.140 58.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33514 ATOM 33510 HW1 SOL 646 71.820 33.310 59.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33515 ATOM 33511 HW2 SOL 646 70.600 33.990 58.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33516 ATOM 33512 OW SOL 647 62.290 22.840 70.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33517 ATOM 33513 HW1 SOL 647 62.510 21.930 70.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33518 ATOM 33514 HW2 SOL 647 61.460 22.790 69.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33519 ATOM 33515 OW SOL 648 64.000 27.460 70.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33520 ATOM 33516 HW1 SOL 648 64.490 26.980 69.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33521 ATOM 33517 HW2 SOL 648 63.560 28.270 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33522 ATOM 33518 OW SOL 649 64.690 21.950 67.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33523 ATOM 33519 HW1 SOL 649 63.910 22.560 67.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33524 ATOM 33520 HW2 SOL 649 64.380 21.000 67.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33525 ATOM 33521 OW SOL 650 65.380 23.580 59.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33526 ATOM 33522 HW1 SOL 650 65.540 24.510 59.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33527 ATOM 33523 HW2 SOL 650 64.430 23.320 59.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33528 ATOM 33524 OW SOL 651 55.770 24.660 64.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33529 ATOM 33525 HW1 SOL 651 56.580 25.180 64.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33530 ATOM 33526 HW2 SOL 651 55.710 23.840 65.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33531 ATOM 33527 OW SOL 652 55.840 39.210 71.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33532 ATOM 33528 HW1 SOL 652 55.310 39.600 72.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33533 ATOM 33529 HW2 SOL 652 56.390 39.930 71.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33534 ATOM 33530 OW SOL 653 62.710 21.260 57.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33535 ATOM 33531 HW1 SOL 653 62.270 20.550 56.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33536 ATOM 33532 HW2 SOL 653 63.500 21.620 56.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33537 ATOM 33533 OW SOL 654 69.990 29.470 60.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33538 ATOM 33534 HW1 SOL 654 70.980 29.430 60.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33539 ATOM 33535 HW2 SOL 654 69.600 30.200 60.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33540 ATOM 33536 OW SOL 655 60.880 20.080 64.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33541 ATOM 33537 HW1 SOL 655 60.680 20.260 65.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33542 ATOM 33538 HW2 SOL 655 60.740 20.920 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33543 ATOM 33539 OW SOL 656 65.490 32.200 61.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33544 ATOM 33540 HW1 SOL 656 65.830 33.080 61.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33545 ATOM 33541 HW2 SOL 656 64.530 32.290 61.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33546 ATOM 33542 OW SOL 657 58.540 35.960 63.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33547 ATOM 33543 HW1 SOL 657 58.870 36.740 64.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33548 ATOM 33544 HW2 SOL 657 58.920 35.110 63.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33549 ATOM 33545 OW SOL 658 70.490 28.960 65.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33550 ATOM 33546 HW1 SOL 658 71.290 29.550 64.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33551 ATOM 33547 HW2 SOL 658 70.120 29.030 65.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33552 ATOM 33548 OW SOL 659 65.520 33.280 71.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33553 ATOM 33549 HW1 SOL 659 65.360 32.320 70.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33554 ATOM 33550 HW2 SOL 659 65.800 33.780 70.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33555 ATOM 33551 OW SOL 660 58.980 26.900 58.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33556 ATOM 33552 HW1 SOL 660 59.940 27.150 58.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33557 ATOM 33553 HW2 SOL 660 58.770 26.180 59.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33558 ATOM 33554 OW SOL 661 70.030 26.660 63.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33559 ATOM 33555 HW1 SOL 661 69.690 26.020 64.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33560 ATOM 33556 HW2 SOL 661 70.280 27.520 63.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33561 ATOM 33557 OW SOL 662 59.410 29.750 1.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33562 ATOM 33558 HW1 SOL 662 59.070 30.370 0.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33563 ATOM 33559 HW2 SOL 662 58.950 28.870 1.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33564 ATOM 33560 OW SOL 663 65.460 34.540 58.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33565 ATOM 33561 HW1 SOL 663 64.640 35.040 59.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33566 ATOM 33562 HW2 SOL 663 65.210 33.880 58.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33567 ATOM 33563 OW SOL 664 55.890 21.660 69.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33568 ATOM 33564 HW1 SOL 664 56.160 22.460 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33569 ATOM 33565 HW2 SOL 664 56.220 20.830 69.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33570 ATOM 33566 OW SOL 665 59.460 35.530 56.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33571 ATOM 33567 HW1 SOL 665 59.960 36.040 57.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33572 ATOM 33568 HW2 SOL 665 60.030 34.790 56.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33573 ATOM 33569 OW SOL 666 70.810 18.630 61.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33574 ATOM 33570 HW1 SOL 666 71.010 18.090 62.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33575 ATOM 33571 HW2 SOL 666 71.040 18.100 60.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33576 ATOM 33572 OW SOL 667 55.550 35.500 66.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33577 ATOM 33573 HW1 SOL 667 56.520 35.720 66.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33578 ATOM 33574 HW2 SOL 667 55.310 35.550 65.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33579 ATOM 33575 OW SOL 668 63.820 34.920 62.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33580 ATOM 33576 HW1 SOL 668 64.640 34.540 63.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33581 ATOM 33577 HW2 SOL 668 64.070 35.620 61.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33582 ATOM 33578 OW SOL 669 58.390 24.560 59.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33583 ATOM 33579 HW1 SOL 669 58.850 23.690 59.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33584 ATOM 33580 HW2 SOL 669 57.800 24.460 60.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33585 ATOM 33581 OW SOL 670 64.120 19.220 59.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33586 ATOM 33582 HW1 SOL 670 64.780 18.940 60.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33587 ATOM 33583 HW2 SOL 670 64.550 19.900 58.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33588 ATOM 33584 OW SOL 671 59.850 20.840 72.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33589 ATOM 33585 HW1 SOL 671 60.090 19.880 72.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33590 ATOM 33586 HW2 SOL 671 60.370 21.410 72.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33591 ATOM 33587 OW SOL 672 62.460 32.900 68.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33592 ATOM 33588 HW1 SOL 672 61.950 32.070 68.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33593 ATOM 33589 HW2 SOL 672 63.220 32.970 67.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33594 ATOM 33590 OW SOL 673 67.620 22.660 69.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33595 ATOM 33591 HW1 SOL 673 67.300 22.370 70.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33596 ATOM 33592 HW2 SOL 673 67.370 23.610 69.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33597 ATOM 33593 OW SOL 674 63.170 31.580 65.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33598 ATOM 33594 HW1 SOL 674 63.930 31.080 64.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33599 ATOM 33595 HW2 SOL 674 62.330 31.410 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33600 ATOM 33596 OW SOL 675 63.670 21.190 62.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33601 ATOM 33597 HW1 SOL 675 62.760 21.540 61.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33602 ATOM 33598 HW2 SOL 675 64.310 21.480 61.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33603 ATOM 33599 OW SOL 676 60.120 17.860 63.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33604 ATOM 33600 HW1 SOL 676 60.390 18.600 64.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33605 ATOM 33601 HW2 SOL 676 59.770 18.240 62.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33606 ATOM 33602 OW SOL 677 68.610 29.470 56.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33607 ATOM 33603 HW1 SOL 677 68.600 28.570 56.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33608 ATOM 33604 HW2 SOL 677 67.720 29.910 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33609 ATOM 33605 OW SOL 678 58.680 18.000 56.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33610 ATOM 33606 HW1 SOL 678 58.330 18.910 56.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33611 ATOM 33607 HW2 SOL 678 59.300 18.030 57.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33612 ATOM 33608 OW SOL 679 66.350 21.090 60.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33613 ATOM 33609 HW1 SOL 679 66.300 21.970 60.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33614 ATOM 33610 HW2 SOL 679 67.290 20.780 61.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33615 ATOM 33611 OW SOL 680 64.690 23.770 69.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33616 ATOM 33612 HW1 SOL 680 63.880 23.540 69.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33617 ATOM 33613 HW2 SOL 680 65.010 22.960 68.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33618 ATOM 33614 OW SOL 681 66.500 34.260 63.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33619 ATOM 33615 HW1 SOL 681 66.390 35.250 63.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33620 ATOM 33616 HW2 SOL 681 67.210 33.930 64.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33621 ATOM 33617 OW SOL 682 60.010 28.760 64.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33622 ATOM 33618 HW1 SOL 682 59.640 28.750 65.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33623 ATOM 33619 HW2 SOL 682 59.380 28.260 63.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33624 ATOM 33620 OW SOL 683 66.250 36.950 63.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33625 ATOM 33621 HW1 SOL 683 66.200 37.020 62.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33626 ATOM 33622 HW2 SOL 683 65.570 37.550 64.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33627 ATOM 33623 OW SOL 684 64.640 22.080 55.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33628 ATOM 33624 HW1 SOL 684 64.920 22.990 55.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33629 ATOM 33625 HW2 SOL 684 65.440 21.480 55.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33630 ATOM 33626 OW SOL 685 56.900 23.410 70.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33631 ATOM 33627 HW1 SOL 685 57.830 23.760 70.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33632 ATOM 33628 HW2 SOL 685 56.690 23.190 71.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33633 ATOM 33629 OW SOL 686 60.330 20.360 67.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33634 ATOM 33630 HW1 SOL 686 60.920 19.630 67.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33635 ATOM 33631 HW2 SOL 686 60.160 21.010 68.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33636 ATOM 33632 OW SOL 687 61.090 24.390 61.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33637 ATOM 33633 HW1 SOL 687 60.100 24.490 61.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33638 ATOM 33634 HW2 SOL 687 61.490 24.170 60.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33639 ATOM 33635 OW SOL 688 65.780 17.450 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33640 ATOM 33636 HW1 SOL 688 65.060 18.090 64.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33641 ATOM 33637 HW2 SOL 688 65.410 16.830 65.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33642 ATOM 33638 OW SOL 689 69.100 30.380 63.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33643 ATOM 33639 HW1 SOL 689 69.600 29.850 63.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33644 ATOM 33640 HW2 SOL 689 69.270 30.010 62.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33645 ATOM 33641 OW SOL 690 68.770 25.310 65.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33646 ATOM 33642 HW1 SOL 690 67.960 24.850 65.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33647 ATOM 33643 HW2 SOL 690 69.400 24.620 66.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33648 ATOM 33644 OW SOL 691 70.860 27.340 58.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33649 ATOM 33645 HW1 SOL 691 70.940 28.150 57.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33650 ATOM 33646 HW2 SOL 691 70.000 27.370 58.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33651 ATOM 33647 OW SOL 692 59.770 31.150 57.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33652 ATOM 33648 HW1 SOL 692 59.480 30.610 58.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33653 ATOM 33649 HW2 SOL 692 59.030 31.190 57.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33654 ATOM 33650 OW SOL 693 69.110 24.460 56.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33655 ATOM 33651 HW1 SOL 693 68.520 23.910 57.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33656 ATOM 33652 HW2 SOL 693 69.990 24.600 57.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33657 ATOM 33653 OW SOL 694 61.630 20.130 59.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33658 ATOM 33654 HW1 SOL 694 62.380 19.640 60.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33659 ATOM 33655 HW2 SOL 694 62.000 20.720 58.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33660 ATOM 33656 OW SOL 695 64.880 32.650 66.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33661 ATOM 33657 HW1 SOL 695 64.280 32.790 66.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33662 ATOM 33658 HW2 SOL 695 65.360 31.780 66.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33663 ATOM 33659 OW SOL 696 66.000 30.130 66.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33664 ATOM 33660 HW1 SOL 696 66.200 29.510 66.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33665 ATOM 33661 HW2 SOL 696 66.360 29.740 67.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33666 ATOM 33662 OW SOL 697 69.520 29.690 67.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33667 ATOM 33663 HW1 SOL 697 69.270 30.620 67.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33668 ATOM 33664 HW2 SOL 697 68.830 29.050 68.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33669 ATOM 33665 OW SOL 698 64.040 17.590 68.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33670 ATOM 33666 HW1 SOL 698 64.270 16.620 68.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33671 ATOM 33667 HW2 SOL 698 64.830 18.140 68.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33672 ATOM 33668 OW SOL 699 63.420 28.010 60.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33673 ATOM 33669 HW1 SOL 699 63.080 27.930 61.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33674 ATOM 33670 HW2 SOL 699 64.410 27.950 60.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33675 ATOM 33671 OW SOL 700 59.320 26.320 69.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33676 ATOM 33672 HW1 SOL 700 60.040 26.160 69.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33677 ATOM 33673 HW2 SOL 700 59.360 25.610 68.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33678 ATOM 33674 OW SOL 701 67.150 21.200 67.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33679 ATOM 33675 HW1 SOL 701 67.480 21.740 68.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33680 ATOM 33676 HW2 SOL 701 66.190 21.410 67.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33681 ATOM 33677 OW SOL 702 55.690 34.600 70.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33682 ATOM 33678 HW1 SOL 702 55.720 35.470 70.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33683 ATOM 33679 HW2 SOL 702 56.500 34.500 69.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33684 ATOM 33680 OW SOL 703 57.810 28.450 62.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33685 ATOM 33681 HW1 SOL 703 57.320 28.660 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33686 ATOM 33682 HW2 SOL 703 57.340 28.870 63.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33687 ATOM 33683 OW SOL 704 61.050 22.540 63.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33688 ATOM 33684 HW1 SOL 704 60.850 23.090 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33689 ATOM 33685 HW2 SOL 704 61.960 22.770 64.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33690 ATOM 33686 OW SOL 705 66.390 30.730 59.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33691 ATOM 33687 HW1 SOL 705 67.360 30.860 59.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33692 ATOM 33688 HW2 SOL 705 66.090 31.420 59.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33693 ATOM 33689 OW SOL 706 70.530 32.800 66.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33694 ATOM 33690 HW1 SOL 706 70.500 32.430 67.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33695 ATOM 33691 HW2 SOL 706 71.350 32.470 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33696 ATOM 33692 OW SOL 707 69.550 23.190 60.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33697 ATOM 33693 HW1 SOL 707 68.990 23.950 60.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33698 ATOM 33694 HW2 SOL 707 70.100 22.830 60.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33699 ATOM 33695 OW SOL 708 58.130 35.620 67.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33700 ATOM 33696 HW1 SOL 708 58.830 35.190 66.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33701 ATOM 33697 HW2 SOL 708 58.540 36.380 67.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33702 ATOM 33698 OW SOL 709 59.600 24.450 71.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33703 ATOM 33699 HW1 SOL 709 60.020 25.340 71.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33704 ATOM 33700 HW2 SOL 709 60.310 23.820 72.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33705 ATOM 33701 OW SOL 710 71.210 25.710 70.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33706 ATOM 33702 HW1 SOL 710 70.390 25.400 71.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33707 ATOM 33703 HW2 SOL 710 71.030 26.600 70.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33708 ATOM 33704 OW SOL 711 61.290 28.040 67.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33709 ATOM 33705 HW1 SOL 711 60.860 28.900 67.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33710 ATOM 33706 HW2 SOL 711 60.680 27.560 68.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33711 ATOM 33707 OW SOL 712 67.530 26.370 68.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33712 ATOM 33708 HW1 SOL 712 66.580 26.150 67.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33713 ATOM 33709 HW2 SOL 712 68.100 26.220 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33714 ATOM 33710 OW SOL 713 67.860 22.690 58.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33715 ATOM 33711 HW1 SOL 713 68.130 21.780 57.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33716 ATOM 33712 HW2 SOL 713 66.960 22.650 58.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33717 ATOM 33713 OW SOL 714 57.630 18.620 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33718 ATOM 33714 HW1 SOL 714 58.430 18.740 66.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33719 ATOM 33715 HW2 SOL 714 57.940 18.340 64.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33720 ATOM 33716 OW SOL 715 55.800 32.640 67.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33721 ATOM 33717 HW1 SOL 715 55.110 32.710 68.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33722 ATOM 33718 HW2 SOL 715 55.880 33.520 67.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33723 ATOM 33719 OW SOL 716 62.450 26.150 66.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33724 ATOM 33720 HW1 SOL 716 61.960 25.970 65.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33725 ATOM 33721 HW2 SOL 716 62.090 26.990 66.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33726 ATOM 33722 OW SOL 717 58.630 18.670 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33727 ATOM 33723 HW1 SOL 717 58.190 19.450 61.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33728 ATOM 33724 HW2 SOL 717 57.970 18.190 62.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33729 ATOM 33725 OW SOL 718 71.590 21.970 59.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33730 ATOM 33726 HW1 SOL 718 71.820 21.140 58.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33731 ATOM 33727 HW2 SOL 718 71.680 21.770 60.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33732 ATOM 33728 OW SOL 719 63.860 23.800 63.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33733 ATOM 33729 HW1 SOL 719 64.720 23.820 63.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33734 ATOM 33730 HW2 SOL 719 63.820 22.990 62.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33735 ATOM 33731 OW SOL 720 68.470 20.150 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33736 ATOM 33732 HW1 SOL 720 68.410 19.150 57.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33737 ATOM 33733 HW2 SOL 720 68.700 20.540 58.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33738 ATOM 33734 OW SOL 721 68.410 26.960 55.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33739 ATOM 33735 HW1 SOL 721 68.840 26.110 55.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33740 ATOM 33736 HW2 SOL 721 68.670 27.110 54.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33741 ATOM 33737 OW SOL 722 64.900 30.190 63.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33742 ATOM 33738 HW1 SOL 722 65.560 29.950 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33743 ATOM 33739 HW2 SOL 722 65.390 30.620 62.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33744 ATOM 33740 OW SOL 723 58.070 26.080 65.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33745 ATOM 33741 HW1 SOL 723 58.930 26.560 65.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33746 ATOM 33742 HW2 SOL 723 58.240 25.090 65.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33747 ATOM 33743 OW SOL 724 58.670 23.270 65.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33748 ATOM 33744 HW1 SOL 724 58.190 22.480 64.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33749 ATOM 33745 HW2 SOL 724 59.620 23.270 65.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33750 ATOM 33746 OW SOL 725 66.180 19.040 69.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33751 ATOM 33747 HW1 SOL 725 66.570 18.870 70.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33752 ATOM 33748 HW2 SOL 725 66.900 19.360 68.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33753 ATOM 33749 OW SOL 726 55.990 30.740 57.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33754 ATOM 33750 HW1 SOL 726 55.320 30.650 58.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33755 ATOM 33751 HW2 SOL 726 56.290 29.830 57.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33756 ATOM 33752 OW SOL 727 55.370 36.080 63.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33757 ATOM 33753 HW1 SOL 727 54.880 35.800 63.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33758 ATOM 33754 HW2 SOL 727 56.310 36.310 63.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33759 ATOM 33755 OW SOL 728 59.980 34.360 65.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33760 ATOM 33756 HW1 SOL 728 60.680 35.020 65.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33761 ATOM 33757 HW2 SOL 728 60.240 33.450 65.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33762 ATOM 33758 OW SOL 729 64.840 26.120 67.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33763 ATOM 33759 HW1 SOL 729 64.600 25.310 68.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33764 ATOM 33760 HW2 SOL 729 64.100 26.350 67.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33765 ATOM 33761 OW SOL 730 55.610 22.870 66.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33766 ATOM 33762 HW1 SOL 730 55.110 22.270 66.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33767 ATOM 33763 HW2 SOL 730 55.680 22.420 67.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33768 ATOM 33764 OW SOL 731 62.690 23.660 58.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33769 ATOM 33765 HW1 SOL 731 62.730 22.780 58.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33770 ATOM 33766 HW2 SOL 731 62.160 24.310 58.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33771 ATOM 33767 OW SOL 732 58.610 34.930 72.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33772 ATOM 33768 HW1 SOL 732 58.010 34.220 72.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33773 ATOM 33769 HW2 SOL 732 59.560 34.600 72.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33774 ATOM 33770 OW SOL 733 62.450 23.460 66.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33775 ATOM 33771 HW1 SOL 733 61.480 23.440 67.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33776 ATOM 33772 HW2 SOL 733 62.690 24.360 66.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33777 ATOM 33773 OW SOL 734 64.160 36.330 0.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33778 ATOM 33774 HW1 SOL 734 64.210 35.370 0.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33779 ATOM 33775 HW2 SOL 734 64.430 36.420 -0.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33780 ATOM 33776 OW SOL 735 59.810 22.500 56.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33781 ATOM 33777 HW1 SOL 735 60.530 21.920 55.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33782 ATOM 33778 HW2 SOL 735 60.200 23.080 57.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33783 ATOM 33779 OW SOL 736 57.740 30.480 71.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33784 ATOM 33780 HW1 SOL 736 57.930 31.450 72.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33785 ATOM 33781 HW2 SOL 736 57.550 30.330 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33786 ATOM 33782 OW SOL 737 67.260 28.780 69.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33787 ATOM 33783 HW1 SOL 737 67.240 27.820 68.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33788 ATOM 33784 HW2 SOL 737 67.290 28.840 70.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33789 ATOM 33785 OW SOL 738 65.910 25.920 58.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33790 ATOM 33786 HW1 SOL 738 66.160 26.640 59.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33791 ATOM 33787 HW2 SOL 738 65.720 26.320 57.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33792 ATOM 33788 OW SOL 739 70.430 35.770 65.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33793 ATOM 33789 HW1 SOL 739 70.290 36.070 64.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33794 ATOM 33790 HW2 SOL 739 70.500 34.780 65.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33795 ATOM 33791 OW SOL 740 65.690 35.130 68.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33796 ATOM 33792 HW1 SOL 740 65.510 34.190 67.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33797 ATOM 33793 HW2 SOL 740 66.400 35.530 67.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33798 ATOM 33794 OW SOL 741 56.090 31.570 64.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33799 ATOM 33795 HW1 SOL 741 56.200 31.720 65.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33800 ATOM 33796 HW2 SOL 741 55.620 30.700 64.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33801 ATOM 33797 OW SOL 742 68.840 31.300 58.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33802 ATOM 33798 HW1 SOL 742 69.110 30.780 58.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33803 ATOM 33799 HW2 SOL 742 69.340 32.160 59.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33804 ATOM 33800 OW SOL 743 68.290 27.740 61.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33805 ATOM 33801 HW1 SOL 743 68.930 27.130 62.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33806 ATOM 33802 HW2 SOL 743 68.790 28.500 61.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33807 ATOM 33803 OW SOL 744 64.720 30.780 70.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33808 ATOM 33804 HW1 SOL 744 63.830 31.000 71.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33809 ATOM 33805 HW2 SOL 744 64.580 30.210 69.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33810 ATOM 33806 OW SOL 745 61.360 33.220 57.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33811 ATOM 33807 HW1 SOL 745 62.330 33.060 57.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33812 ATOM 33808 HW2 SOL 745 60.840 32.420 57.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33813 ATOM 33809 OW SOL 746 57.440 21.040 61.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33814 ATOM 33810 HW1 SOL 746 56.550 21.420 61.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33815 ATOM 33811 HW2 SOL 746 57.580 21.090 62.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33816 ATOM 33812 OW SOL 747 67.010 33.340 56.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33817 ATOM 33813 HW1 SOL 747 66.850 32.430 56.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33818 ATOM 33814 HW2 SOL 747 66.440 33.480 55.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33819 ATOM 33815 OW SOL 748 63.700 29.710 68.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33820 ATOM 33816 HW1 SOL 748 62.750 29.900 68.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33821 ATOM 33817 HW2 SOL 748 64.280 29.860 67.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33822 ATOM 33818 OW SOL 749 66.080 28.050 60.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33823 ATOM 33819 HW1 SOL 749 66.930 27.910 60.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33824 ATOM 33820 HW2 SOL 749 66.040 28.970 59.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33825 ATOM 33821 OW SOL 750 69.460 34.770 56.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33826 ATOM 33822 HW1 SOL 750 68.770 34.220 56.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33827 ATOM 33823 HW2 SOL 750 69.770 35.500 56.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33828 ATOM 33824 OW SOL 751 58.680 33.520 68.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33829 ATOM 33825 HW1 SOL 751 59.400 33.920 69.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33830 ATOM 33826 HW2 SOL 751 58.300 34.210 68.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33831 ATOM 33827 OW SOL 752 66.790 28.540 64.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33832 ATOM 33828 HW1 SOL 752 66.550 27.650 64.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33833 ATOM 33829 HW2 SOL 752 67.740 28.760 64.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33834 ATOM 33830 OW SOL 753 63.790 19.410 66.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33835 ATOM 33831 HW1 SOL 753 63.970 18.600 67.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33836 ATOM 33832 HW2 SOL 753 63.640 19.130 65.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33837 ATOM 33833 OW SOL 754 59.490 31.950 61.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33838 ATOM 33834 HW1 SOL 754 59.580 31.190 60.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33839 ATOM 33835 HW2 SOL 754 58.710 32.510 61.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33840 ATOM 33836 OW SOL 755 59.370 29.360 59.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33841 ATOM 33837 HW1 SOL 755 59.050 29.240 60.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33842 ATOM 33838 HW2 SOL 755 59.160 28.550 59.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33843 ATOM 33839 OW SOL 756 56.890 28.010 0.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33844 ATOM 33840 HW1 SOL 756 56.550 28.300 0.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33845 ATOM 33841 HW2 SOL 756 56.980 28.810 -0.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33846 ATOM 33842 OW SOL 757 62.060 19.290 69.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33847 ATOM 33843 HW1 SOL 757 62.760 18.680 68.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33848 ATOM 33844 HW2 SOL 757 62.380 19.670 70.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33849 ATOM 33845 OW SOL 758 56.510 21.400 53.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33850 ATOM 33846 HW1 SOL 758 55.640 21.620 53.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33851 ATOM 33847 HW2 SOL 758 56.920 22.240 53.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33852 ATOM 33848 OW SOL 759 66.740 25.410 70.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33853 ATOM 33849 HW1 SOL 759 65.760 25.430 71.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33854 ATOM 33850 HW2 SOL 759 66.930 25.960 70.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33855 ATOM 33851 OW SOL 760 53.430 18.650 57.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33856 ATOM 33852 HW1 SOL 760 54.170 18.090 56.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33857 ATOM 33853 HW2 SOL 760 52.550 18.330 56.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33858 ATOM 33854 OW SOL 761 66.200 30.680 56.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33859 ATOM 33855 HW1 SOL 761 65.470 30.180 55.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33860 ATOM 33856 HW2 SOL 761 66.140 30.500 57.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33861 ATOM 33857 OW SOL 762 61.630 26.550 71.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33862 ATOM 33858 HW1 SOL 762 61.670 27.230 71.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33863 ATOM 33859 HW2 SOL 762 62.550 26.330 70.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33864 ATOM 33860 OW SOL 763 68.130 36.860 66.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33865 ATOM 33861 HW1 SOL 763 67.640 37.040 65.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33866 ATOM 33862 HW2 SOL 763 69.030 36.460 66.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33867 ATOM 33863 OW SOL 764 62.800 20.470 71.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33868 ATOM 33864 HW1 SOL 764 63.700 20.570 71.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33869 ATOM 33865 HW2 SOL 764 62.220 19.910 72.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33870 ATOM 33866 OW SOL 765 57.700 37.000 70.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33871 ATOM 33867 HW1 SOL 765 57.310 37.760 71.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33872 ATOM 33868 HW2 SOL 765 58.230 36.410 71.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33873 ATOM 33869 OW SOL 766 1.410 27.600 66.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33874 ATOM 33870 HW1 SOL 766 1.590 26.960 65.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33875 ATOM 33871 HW2 SOL 766 0.750 27.190 66.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33876 ATOM 33872 OW SOL 767 69.180 20.480 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33877 ATOM 33873 HW1 SOL 767 69.950 19.910 60.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33878 ATOM 33874 HW2 SOL 767 69.280 21.390 60.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33879 ATOM 33875 OW SOL 768 61.410 26.010 63.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33880 ATOM 33876 HW1 SOL 768 61.920 26.810 63.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33881 ATOM 33877 HW2 SOL 768 61.420 25.320 62.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33882 ATOM 33878 OW SOL 769 70.840 28.020 69.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33883 ATOM 33879 HW1 SOL 769 71.710 28.490 69.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33884 ATOM 33880 HW2 SOL 769 70.160 28.630 69.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33885 ATOM 33881 OW SOL 770 63.980 32.490 57.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33886 ATOM 33882 HW1 SOL 770 63.690 31.990 58.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33887 ATOM 33883 HW2 SOL 770 64.600 31.910 56.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33888 ATOM 33884 OW SOL 771 62.180 35.930 64.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33889 ATOM 33885 HW1 SOL 771 61.440 36.280 64.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33890 ATOM 33886 HW2 SOL 771 62.880 35.490 64.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33891 ATOM 33887 OW SOL 772 64.900 26.610 63.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33892 ATOM 33888 HW1 SOL 772 64.380 25.770 63.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33893 ATOM 33889 HW2 SOL 772 64.260 27.350 63.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33894 ATOM 33890 OW SOL 773 65.630 26.980 55.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33895 ATOM 33891 HW1 SOL 773 65.220 27.870 55.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33896 ATOM 33892 HW2 SOL 773 66.550 26.940 55.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33897 ATOM 33893 OW SOL 774 71.640 33.280 62.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33898 ATOM 33894 HW1 SOL 774 70.670 33.340 62.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33899 ATOM 33895 HW2 SOL 774 71.860 32.330 62.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33900 ATOM 33896 OW SOL 775 55.580 31.680 62.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33901 ATOM 33897 HW1 SOL 775 55.830 31.750 63.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33902 ATOM 33898 HW2 SOL 775 56.130 32.320 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33903 ATOM 33899 OW SOL 776 59.910 31.180 69.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33904 ATOM 33900 HW1 SOL 776 59.550 32.100 69.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33905 ATOM 33901 HW2 SOL 776 59.170 30.510 69.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33906 ATOM 33902 OW SOL 777 70.920 19.500 69.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33907 ATOM 33903 HW1 SOL 777 70.810 18.980 68.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33908 ATOM 33904 HW2 SOL 777 71.860 19.380 69.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33909 ATOM 33905 OW SOL 778 59.380 21.890 59.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33910 ATOM 33906 HW1 SOL 778 60.200 21.320 59.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33911 ATOM 33907 HW2 SOL 778 58.690 21.510 60.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33912 ATOM 33908 OW SOL 779 59.460 23.850 67.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33913 ATOM 33909 HW1 SOL 779 59.280 23.470 68.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33914 ATOM 33910 HW2 SOL 779 58.770 23.530 67.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33915 ATOM 33911 OW SOL 780 62.380 32.710 61.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33916 ATOM 33912 HW1 SOL 780 61.380 32.740 61.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33917 ATOM 33913 HW2 SOL 780 62.740 33.640 61.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33918 ATOM 33914 OW SOL 781 70.370 22.140 69.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33919 ATOM 33915 HW1 SOL 781 70.640 21.180 69.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33920 ATOM 33916 HW2 SOL 781 69.370 22.200 69.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33921 ATOM 33917 OW SOL 782 64.980 15.120 68.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33922 ATOM 33918 HW1 SOL 782 64.890 14.860 67.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33923 ATOM 33919 HW2 SOL 782 65.950 15.260 68.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33924 ATOM 33920 OW SOL 783 62.830 31.090 59.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33925 ATOM 33921 HW1 SOL 783 62.240 30.290 59.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33926 ATOM 33922 HW2 SOL 783 62.650 31.560 60.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33927 ATOM 33923 OW SOL 784 60.810 34.650 69.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33928 ATOM 33924 HW1 SOL 784 61.290 35.500 69.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33929 ATOM 33925 HW2 SOL 784 61.420 34.010 69.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33930 ATOM 33926 OW SOL 785 68.010 17.620 57.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33931 ATOM 33927 HW1 SOL 785 67.990 17.670 56.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33932 ATOM 33928 HW2 SOL 785 67.140 17.240 58.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33933 ATOM 33929 OW SOL 786 68.330 19.820 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33934 ATOM 33930 HW1 SOL 786 68.590 20.510 64.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33935 ATOM 33931 HW2 SOL 786 67.730 20.230 66.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33936 ATOM 33932 OW SOL 787 69.980 22.650 64.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33937 ATOM 33933 HW1 SOL 787 69.250 23.160 63.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33938 ATOM 33934 HW2 SOL 787 70.510 23.260 64.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33939 ATOM 33935 OW SOL 788 56.860 28.270 57.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33940 ATOM 33936 HW1 SOL 788 57.520 27.590 57.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33941 ATOM 33937 HW2 SOL 788 56.450 27.970 56.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33942 ATOM 33938 OW SOL 789 62.800 35.080 59.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33943 ATOM 33939 HW1 SOL 789 62.300 34.420 58.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33944 ATOM 33940 HW2 SOL 789 62.300 35.950 59.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33945 ATOM 33941 OW SOL 790 55.990 43.030 0.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33946 ATOM 33942 HW1 SOL 790 55.540 43.070 1.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33947 ATOM 33943 HW2 SOL 790 55.850 43.900 -0.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33948 ATOM 33944 OW SOL 791 57.160 40.090 9.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33949 ATOM 33945 HW1 SOL 791 57.890 40.760 9.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33950 ATOM 33946 HW2 SOL 791 56.890 39.770 10.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33951 ATOM 33947 OW SOL 792 54.620 39.320 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33952 ATOM 33948 HW1 SOL 792 53.760 39.600 5.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33953 ATOM 33949 HW2 SOL 792 54.480 38.440 4.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33954 ATOM 33950 OW SOL 793 61.020 49.560 13.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33955 ATOM 33951 HW1 SOL 793 60.120 49.570 13.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33956 ATOM 33952 HW2 SOL 793 61.010 50.170 12.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33957 ATOM 33953 OW SOL 794 70.880 51.410 8.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33958 ATOM 33954 HW1 SOL 794 71.130 51.060 7.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33959 ATOM 33955 HW2 SOL 794 69.900 51.610 8.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33960 ATOM 33956 OW SOL 795 65.920 42.660 8.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33961 ATOM 33957 HW1 SOL 795 66.800 42.510 8.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33962 ATOM 33958 HW2 SOL 795 65.380 41.820 8.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33963 ATOM 33959 OW SOL 796 69.570 45.320 0.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33964 ATOM 33960 HW1 SOL 796 68.950 45.820 0.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33965 ATOM 33961 HW2 SOL 796 69.760 44.420 0.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33966 ATOM 33962 OW SOL 797 63.320 48.890 12.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33967 ATOM 33963 HW1 SOL 797 62.440 48.840 12.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33968 ATOM 33964 HW2 SOL 797 63.200 48.560 11.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33969 ATOM 33965 OW SOL 798 64.360 44.280 18.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33970 ATOM 33966 HW1 SOL 798 63.930 44.530 19.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33971 ATOM 33967 HW2 SOL 798 64.240 45.020 17.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33972 ATOM 33968 OW SOL 799 61.970 46.600 6.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33973 ATOM 33969 HW1 SOL 799 62.690 46.250 7.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33974 ATOM 33970 HW2 SOL 799 62.170 47.550 6.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33975 ATOM 33971 OW SOL 800 60.780 48.800 18.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33976 ATOM 33972 HW1 SOL 800 61.300 49.010 18.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33977 ATOM 33973 HW2 SOL 800 61.410 48.670 17.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33978 ATOM 33974 OW SOL 801 60.520 50.570 10.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33979 ATOM 33975 HW1 SOL 801 60.250 49.670 10.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33980 ATOM 33976 HW2 SOL 801 60.890 51.110 9.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33981 ATOM 33977 OW SOL 802 71.300 53.390 12.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33982 ATOM 33978 HW1 SOL 802 71.860 52.570 13.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33983 ATOM 33979 HW2 SOL 802 71.570 54.020 13.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33984 ATOM 33980 OW SOL 803 59.040 39.380 14.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33985 ATOM 33981 HW1 SOL 803 59.440 39.330 15.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33986 ATOM 33982 HW2 SOL 803 58.050 39.230 14.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33987 ATOM 33983 OW SOL 804 57.340 54.420 2.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33988 ATOM 33984 HW1 SOL 804 57.490 53.680 3.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33989 ATOM 33985 HW2 SOL 804 58.140 54.490 2.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33990 ATOM 33986 OW SOL 805 65.240 51.200 16.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33991 ATOM 33987 HW1 SOL 805 65.000 50.420 16.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33992 ATOM 33988 HW2 SOL 805 64.480 51.390 15.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33993 ATOM 33989 OW SOL 806 57.990 52.360 4.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33994 ATOM 33990 HW1 SOL 806 57.790 51.590 3.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33995 ATOM 33991 HW2 SOL 806 57.530 52.210 5.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33996 ATOM 33992 OW SOL 807 59.730 47.860 9.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33997 ATOM 33993 HW1 SOL 807 60.290 47.050 9.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33998 ATOM 33994 HW2 SOL 807 58.970 47.590 10.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
33999 ATOM 33995 OW SOL 808 60.220 55.520 15.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34000 ATOM 33996 HW1 SOL 808 59.240 55.430 15.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34001 ATOM 33997 HW2 SOL 808 60.380 56.320 15.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34002 ATOM 33998 OW SOL 809 61.100 45.540 2.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34003 ATOM 33999 HW1 SOL 809 61.540 44.730 1.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34004 ATOM 34000 HW2 SOL 809 61.190 45.550 3.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34005 ATOM 34001 OW SOL 810 68.950 36.750 14.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34006 ATOM 34002 HW1 SOL 810 69.440 37.420 14.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34007 ATOM 34003 HW2 SOL 810 68.780 37.140 15.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34008 ATOM 34004 OW SOL 811 55.640 43.610 7.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34009 ATOM 34005 HW1 SOL 811 54.930 43.260 7.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34010 ATOM 34006 HW2 SOL 811 55.360 44.510 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34011 ATOM 34007 OW SOL 812 57.200 50.590 72.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34012 ATOM 34008 HW1 SOL 812 56.800 49.730 72.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34013 ATOM 34009 HW2 SOL 812 56.730 51.350 72.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34014 ATOM 34010 OW SOL 813 70.960 47.660 6.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34015 ATOM 34011 HW1 SOL 813 71.240 47.280 6.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34016 ATOM 34012 HW2 SOL 813 70.760 48.630 6.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34017 ATOM 34013 OW SOL 814 56.140 46.480 14.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34018 ATOM 34014 HW1 SOL 814 56.780 46.510 14.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34019 ATOM 34015 HW2 SOL 814 55.290 46.050 14.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34020 ATOM 34016 OW SOL 815 61.890 49.240 6.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34021 ATOM 34017 HW1 SOL 815 60.970 49.350 6.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34022 ATOM 34018 HW2 SOL 815 62.000 49.820 5.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34023 ATOM 34019 OW SOL 816 68.040 50.610 14.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34024 ATOM 34020 HW1 SOL 816 68.450 49.960 13.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34025 ATOM 34021 HW2 SOL 816 68.310 50.380 14.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34026 ATOM 34022 OW SOL 817 63.200 35.750 5.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34027 ATOM 34023 HW1 SOL 817 63.990 36.360 5.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34028 ATOM 34024 HW2 SOL 817 62.390 36.210 5.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34029 ATOM 34025 OW SOL 818 58.130 46.220 12.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34030 ATOM 34026 HW1 SOL 818 59.050 45.860 13.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34031 ATOM 34027 HW2 SOL 818 58.200 47.130 12.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34032 ATOM 34028 OW SOL 819 67.560 47.560 4.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34033 ATOM 34029 HW1 SOL 819 66.950 47.570 5.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34034 ATOM 34030 HW2 SOL 819 68.140 46.750 4.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34035 ATOM 34031 OW SOL 820 66.430 55.730 16.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34036 ATOM 34032 HW1 SOL 820 66.270 56.190 15.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34037 ATOM 34033 HW2 SOL 820 66.570 54.760 16.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34038 ATOM 34034 OW SOL 821 57.270 39.050 18.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34039 ATOM 34035 HW1 SOL 821 58.080 39.400 18.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34040 ATOM 34036 HW2 SOL 821 56.770 39.800 17.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34041 ATOM 34037 OW SOL 822 68.190 51.740 9.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34042 ATOM 34038 HW1 SOL 822 67.300 52.120 9.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34043 ATOM 34039 HW2 SOL 822 68.100 50.750 8.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34044 ATOM 34040 OW SOL 823 72.360 53.020 6.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34045 ATOM 34041 HW1 SOL 823 72.560 53.910 5.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34046 ATOM 34042 HW2 SOL 823 72.660 52.990 7.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34047 ATOM 34043 OW SOL 824 62.210 42.550 5.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34048 ATOM 34044 HW1 SOL 824 61.720 41.990 4.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34049 ATOM 34045 HW2 SOL 824 63.200 42.460 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34050 ATOM 34046 OW SOL 825 67.160 36.940 8.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34051 ATOM 34047 HW1 SOL 825 66.200 36.780 8.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34052 ATOM 34048 HW2 SOL 825 67.670 37.130 9.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34053 ATOM 34049 OW SOL 826 71.160 55.170 1.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34054 ATOM 34050 HW1 SOL 826 70.180 55.010 1.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34055 ATOM 34051 HW2 SOL 826 71.640 54.410 1.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34056 ATOM 34052 OW SOL 827 63.460 42.090 15.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34057 ATOM 34053 HW1 SOL 827 62.780 41.680 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34058 ATOM 34054 HW2 SOL 827 63.150 42.020 14.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34059 ATOM 34055 OW SOL 828 69.640 41.350 16.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34060 ATOM 34056 HW1 SOL 828 69.760 41.550 17.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34061 ATOM 34057 HW2 SOL 828 70.510 41.060 15.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34062 ATOM 34058 OW SOL 829 65.580 46.260 16.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34063 ATOM 34059 HW1 SOL 829 66.460 46.240 16.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34064 ATOM 34060 HW2 SOL 829 64.850 46.440 15.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34065 ATOM 34061 OW SOL 830 65.550 40.080 12.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34066 ATOM 34062 HW1 SOL 830 64.810 40.730 12.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34067 ATOM 34063 HW2 SOL 830 65.200 39.250 11.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34068 ATOM 34064 OW SOL 831 64.840 44.470 6.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34069 ATOM 34065 HW1 SOL 831 64.450 45.100 7.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34070 ATOM 34066 HW2 SOL 831 65.250 43.690 7.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34071 ATOM 34067 OW SOL 832 57.920 45.410 9.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34072 ATOM 34068 HW1 SOL 832 58.910 45.370 9.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34073 ATOM 34069 HW2 SOL 832 57.490 44.980 10.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34074 ATOM 34070 OW SOL 833 53.840 57.660 16.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34075 ATOM 34071 HW1 SOL 833 53.940 56.910 17.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34076 ATOM 34072 HW2 SOL 833 52.890 57.690 16.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34077 ATOM 34073 OW SOL 834 65.050 38.120 1.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34078 ATOM 34074 HW1 SOL 834 65.740 38.770 1.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34079 ATOM 34075 HW2 SOL 834 64.750 37.570 1.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34080 ATOM 34076 OW SOL 835 0.190 42.260 18.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34081 ATOM 34077 HW1 SOL 835 0.320 43.130 17.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34082 ATOM 34078 HW2 SOL 835 0.090 41.530 17.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34083 ATOM 34079 OW SOL 836 70.680 50.280 6.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34084 ATOM 34080 HW1 SOL 836 69.770 50.680 6.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34085 ATOM 34081 HW2 SOL 836 71.080 50.570 5.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34086 ATOM 34082 OW SOL 837 62.050 38.810 10.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34087 ATOM 34083 HW1 SOL 837 61.540 39.140 10.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34088 ATOM 34084 HW2 SOL 837 61.740 39.300 9.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34089 ATOM 34085 OW SOL 838 65.520 52.780 5.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34090 ATOM 34086 HW1 SOL 838 65.440 53.780 4.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34091 ATOM 34087 HW2 SOL 838 64.600 52.380 5.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34092 ATOM 34088 OW SOL 839 60.130 53.610 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34093 ATOM 34089 HW1 SOL 839 60.560 52.710 7.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34094 ATOM 34090 HW2 SOL 839 60.630 54.230 8.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34095 ATOM 34091 OW SOL 840 72.020 46.170 9.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34096 ATOM 34092 HW1 SOL 840 71.560 46.860 8.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34097 ATOM 34093 HW2 SOL 840 71.400 45.850 10.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34098 ATOM 34094 OW SOL 841 66.740 53.430 15.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34099 ATOM 34095 HW1 SOL 841 66.250 52.560 15.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34100 ATOM 34096 HW2 SOL 841 67.420 53.490 14.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34101 ATOM 34097 OW SOL 842 58.240 46.550 2.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34102 ATOM 34098 HW1 SOL 842 58.510 46.610 3.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34103 ATOM 34099 HW2 SOL 842 59.030 46.310 2.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34104 ATOM 34100 OW SOL 843 68.750 45.100 8.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34105 ATOM 34101 HW1 SOL 843 68.450 44.150 7.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34106 ATOM 34102 HW2 SOL 843 69.740 45.150 7.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34107 ATOM 34103 OW SOL 844 59.890 51.160 16.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34108 ATOM 34104 HW1 SOL 844 59.230 50.770 15.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34109 ATOM 34105 HW2 SOL 844 60.240 50.430 17.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34110 ATOM 34106 OW SOL 845 65.650 54.390 1.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34111 ATOM 34107 HW1 SOL 845 65.010 54.580 1.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34112 ATOM 34108 HW2 SOL 845 65.990 53.460 1.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34113 ATOM 34109 OW SOL 846 56.240 39.230 14.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34114 ATOM 34110 HW1 SOL 846 56.430 39.910 15.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34115 ATOM 34111 HW2 SOL 846 55.640 38.520 14.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34116 ATOM 34112 OW SOL 847 59.710 53.150 1.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34117 ATOM 34113 HW1 SOL 847 59.590 52.430 2.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34118 ATOM 34114 HW2 SOL 847 60.540 53.680 2.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34119 ATOM 34115 OW SOL 848 69.170 37.270 3.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34120 ATOM 34116 HW1 SOL 848 69.330 36.900 2.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34121 ATOM 34117 HW2 SOL 848 69.760 38.070 3.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34122 ATOM 34118 OW SOL 849 57.190 54.510 10.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34123 ATOM 34119 HW1 SOL 849 57.980 54.330 10.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34124 ATOM 34120 HW2 SOL 849 57.510 54.850 9.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34125 ATOM 34121 OW SOL 850 63.760 53.120 7.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34126 ATOM 34122 HW1 SOL 850 64.620 53.620 7.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34127 ATOM 34123 HW2 SOL 850 63.140 53.320 7.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34128 ATOM 34124 OW SOL 851 58.410 43.010 7.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34129 ATOM 34125 HW1 SOL 851 58.270 42.130 7.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34130 ATOM 34126 HW2 SOL 851 57.600 43.590 7.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34131 ATOM 34127 OW SOL 852 69.060 37.820 17.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34132 ATOM 34128 HW1 SOL 852 69.820 38.280 17.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34133 ATOM 34129 HW2 SOL 852 68.260 37.820 17.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34134 ATOM 34130 OW SOL 853 61.660 37.330 0.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34135 ATOM 34131 HW1 SOL 853 62.580 37.000 0.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34136 ATOM 34132 HW2 SOL 853 61.060 36.560 -0.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34137 ATOM 34133 OW SOL 854 60.150 39.470 16.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34138 ATOM 34134 HW1 SOL 854 60.820 38.730 16.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34139 ATOM 34135 HW2 SOL 854 59.750 39.570 17.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34140 ATOM 34136 OW SOL 855 63.450 52.930 13.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34141 ATOM 34137 HW1 SOL 855 63.500 53.240 12.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34142 ATOM 34138 HW2 SOL 855 64.210 52.300 13.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34143 ATOM 34139 OW SOL 856 69.190 41.330 13.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34144 ATOM 34140 HW1 SOL 856 69.050 41.520 14.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34145 ATOM 34141 HW2 SOL 856 68.720 42.020 12.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34146 ATOM 34142 OW SOL 857 63.120 48.510 9.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34147 ATOM 34143 HW1 SOL 857 63.720 49.290 9.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34148 ATOM 34144 HW2 SOL 857 62.300 48.620 8.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34149 ATOM 34145 OW SOL 858 64.420 40.530 8.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34150 ATOM 34146 HW1 SOL 858 64.040 40.200 7.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34151 ATOM 34147 HW2 SOL 858 64.470 39.780 9.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34152 ATOM 34148 OW SOL 859 61.020 37.050 4.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34153 ATOM 34149 HW1 SOL 859 60.060 36.990 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34154 ATOM 34150 HW2 SOL 859 61.180 37.860 3.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34155 ATOM 34151 OW SOL 860 67.290 48.840 2.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34156 ATOM 34152 HW1 SOL 860 67.540 48.660 3.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34157 ATOM 34153 HW2 SOL 860 66.340 49.130 2.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34158 ATOM 34154 OW SOL 861 58.300 38.700 2.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34159 ATOM 34155 HW1 SOL 861 57.670 39.320 2.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34160 ATOM 34156 HW2 SOL 861 59.190 39.150 2.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34161 ATOM 34157 OW SOL 862 64.920 37.590 4.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34162 ATOM 34158 HW1 SOL 862 64.870 37.640 3.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34163 ATOM 34159 HW2 SOL 862 65.870 37.680 4.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34164 ATOM 34160 OW SOL 863 66.700 42.890 14.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34165 ATOM 34161 HW1 SOL 863 66.410 42.090 13.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34166 ATOM 34162 HW2 SOL 863 66.300 42.840 14.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34167 ATOM 34163 OW SOL 864 65.940 54.660 7.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34168 ATOM 34164 HW1 SOL 864 66.250 55.080 6.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34169 ATOM 34165 HW2 SOL 864 66.710 54.600 8.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34170 ATOM 34166 OW SOL 865 59.430 49.250 7.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34171 ATOM 34167 HW1 SOL 865 59.480 48.730 8.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34172 ATOM 34168 HW2 SOL 865 58.570 49.030 7.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34173 ATOM 34169 OW SOL 866 69.670 55.880 5.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34174 ATOM 34170 HW1 SOL 866 69.700 56.180 6.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34175 ATOM 34171 HW2 SOL 866 68.870 56.280 5.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34176 ATOM 34172 OW SOL 867 66.230 39.860 0.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34177 ATOM 34173 HW1 SOL 867 66.900 40.430 0.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34178 ATOM 34174 HW2 SOL 867 66.580 39.590 -0.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34179 ATOM 34175 OW SOL 868 55.250 42.160 13.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34180 ATOM 34176 HW1 SOL 868 55.270 42.830 12.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34181 ATOM 34177 HW2 SOL 868 56.190 41.920 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34182 ATOM 34178 OW SOL 869 61.490 39.040 12.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34183 ATOM 34179 HW1 SOL 869 62.240 38.620 13.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34184 ATOM 34180 HW2 SOL 869 60.620 38.870 13.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34185 ATOM 34181 OW SOL 870 63.790 39.580 6.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34186 ATOM 34182 HW1 SOL 870 63.850 40.290 5.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34187 ATOM 34183 HW2 SOL 870 64.100 38.710 5.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34188 ATOM 34184 OW SOL 871 62.260 35.460 8.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34189 ATOM 34185 HW1 SOL 871 62.250 35.550 7.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34190 ATOM 34186 HW2 SOL 871 63.200 35.460 8.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34191 ATOM 34187 OW SOL 872 67.530 49.170 8.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34192 ATOM 34188 HW1 SOL 872 67.120 48.360 8.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34193 ATOM 34189 HW2 SOL 872 67.880 48.940 9.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34194 ATOM 34190 OW SOL 873 69.520 39.250 9.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34195 ATOM 34191 HW1 SOL 873 69.120 38.400 9.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34196 ATOM 34192 HW2 SOL 873 70.360 39.030 8.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34197 ATOM 34193 OW SOL 874 70.700 43.580 6.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34198 ATOM 34194 HW1 SOL 874 71.460 43.550 7.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34199 ATOM 34195 HW2 SOL 874 70.160 42.740 6.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34200 ATOM 34196 OW SOL 875 59.810 50.290 2.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34201 ATOM 34197 HW1 SOL 875 58.870 50.090 2.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34202 ATOM 34198 HW2 SOL 875 60.110 49.620 1.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34203 ATOM 34199 OW SOL 876 69.530 41.100 72.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34204 ATOM 34200 HW1 SOL 876 69.080 41.360 73.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34205 ATOM 34201 HW2 SOL 876 69.860 40.150 72.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34206 ATOM 34202 OW SOL 877 60.040 41.080 3.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34207 ATOM 34203 HW1 SOL 877 60.740 40.500 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34208 ATOM 34204 HW2 SOL 877 59.670 41.710 2.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34209 ATOM 34205 OW SOL 878 65.270 50.880 13.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34210 ATOM 34206 HW1 SOL 878 64.680 50.080 12.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34211 ATOM 34207 HW2 SOL 878 66.210 50.580 13.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34212 ATOM 34208 OW SOL 879 71.370 50.500 15.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34213 ATOM 34209 HW1 SOL 879 71.980 51.030 14.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34214 ATOM 34210 HW2 SOL 879 71.710 50.530 16.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34215 ATOM 34211 OW SOL 880 65.850 52.090 10.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34216 ATOM 34212 HW1 SOL 880 65.730 51.740 11.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34217 ATOM 34213 HW2 SOL 880 65.410 51.470 9.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34218 ATOM 34214 OW SOL 881 71.460 46.840 13.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34219 ATOM 34215 HW1 SOL 881 72.280 47.190 13.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34220 ATOM 34216 HW2 SOL 881 70.650 47.330 13.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34221 ATOM 34217 OW SOL 882 63.980 38.140 14.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34222 ATOM 34218 HW1 SOL 882 64.230 37.440 13.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34223 ATOM 34219 HW2 SOL 882 64.800 38.470 14.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34224 ATOM 34220 OW SOL 883 64.560 49.120 17.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34225 ATOM 34221 HW1 SOL 883 63.870 49.040 18.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34226 ATOM 34222 HW2 SOL 883 64.880 48.210 17.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34227 ATOM 34223 OW SOL 884 60.800 45.040 5.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34228 ATOM 34224 HW1 SOL 884 61.220 45.660 5.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34229 ATOM 34225 HW2 SOL 884 61.330 44.200 4.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34230 ATOM 34226 OW SOL 885 60.930 44.350 12.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34231 ATOM 34227 HW1 SOL 885 61.820 44.320 13.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34232 ATOM 34228 HW2 SOL 885 60.500 43.450 12.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34233 ATOM 34229 OW SOL 886 68.010 39.060 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34234 ATOM 34230 HW1 SOL 886 68.550 39.900 12.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34235 ATOM 34231 HW2 SOL 886 67.100 39.260 12.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34236 ATOM 34232 OW SOL 887 56.370 52.100 12.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34237 ATOM 34233 HW1 SOL 887 55.780 52.490 12.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34238 ATOM 34234 HW2 SOL 887 57.300 52.030 12.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34239 ATOM 34235 OW SOL 888 58.000 44.570 5.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34240 ATOM 34236 HW1 SOL 888 58.990 44.390 5.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34241 ATOM 34237 HW2 SOL 888 57.590 44.080 4.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34242 ATOM 34238 OW SOL 889 61.180 40.420 8.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34243 ATOM 34239 HW1 SOL 889 60.360 40.630 7.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34244 ATOM 34240 HW2 SOL 889 61.880 40.030 7.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34245 ATOM 34241 OW SOL 890 67.900 51.790 4.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34246 ATOM 34242 HW1 SOL 890 68.720 52.080 4.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34247 ATOM 34243 HW2 SOL 890 67.090 52.160 4.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34248 ATOM 34244 OW SOL 891 68.610 53.130 13.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34249 ATOM 34245 HW1 SOL 891 69.550 53.300 13.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34250 ATOM 34246 HW2 SOL 891 68.500 52.150 13.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34251 ATOM 34247 OW SOL 892 69.560 41.150 6.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34252 ATOM 34248 HW1 SOL 892 68.600 40.880 6.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34253 ATOM 34249 HW2 SOL 892 70.110 40.490 7.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34254 ATOM 34250 OW SOL 893 58.950 51.940 12.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34255 ATOM 34251 HW1 SOL 893 59.400 51.490 11.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34256 ATOM 34252 HW2 SOL 893 59.590 52.590 12.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34257 ATOM 34253 OW SOL 894 59.120 42.860 15.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34258 ATOM 34254 HW1 SOL 894 59.160 42.260 14.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34259 ATOM 34255 HW2 SOL 894 59.990 42.830 15.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34260 ATOM 34256 OW SOL 895 0.210 44.730 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34261 ATOM 34257 HW1 SOL 895 -0.100 44.900 17.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34262 ATOM 34258 HW2 SOL 895 0.290 45.600 16.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34263 ATOM 34259 OW SOL 896 65.060 38.500 17.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34264 ATOM 34260 HW1 SOL 896 65.560 39.220 17.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34265 ATOM 34261 HW2 SOL 896 65.190 37.620 17.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34266 ATOM 34262 OW SOL 897 58.060 36.420 18.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34267 ATOM 34263 HW1 SOL 897 58.140 36.000 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34268 ATOM 34264 HW2 SOL 897 57.820 37.390 18.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34269 ATOM 34265 OW SOL 898 64.460 44.580 11.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34270 ATOM 34266 HW1 SOL 898 63.940 44.360 12.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34271 ATOM 34267 HW2 SOL 898 64.140 44.020 10.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34272 ATOM 34268 OW SOL 899 68.770 47.180 10.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34273 ATOM 34269 HW1 SOL 899 68.600 46.480 10.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34274 ATOM 34270 HW2 SOL 899 68.800 46.750 9.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34275 ATOM 34271 OW SOL 900 67.870 41.330 1.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34276 ATOM 34272 HW1 SOL 900 67.500 40.750 2.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34277 ATOM 34273 HW2 SOL 900 68.100 42.230 2.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34278 ATOM 34274 OW SOL 901 56.190 39.170 11.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34279 ATOM 34275 HW1 SOL 901 56.260 39.280 12.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34280 ATOM 34276 HW2 SOL 901 56.300 38.210 11.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34281 ATOM 34277 OW SOL 902 55.570 49.610 12.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34282 ATOM 34278 HW1 SOL 902 55.470 49.630 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34283 ATOM 34279 HW2 SOL 902 55.880 50.500 12.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34284 ATOM 34280 OW SOL 903 62.870 42.650 9.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34285 ATOM 34281 HW1 SOL 903 63.660 42.120 9.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34286 ATOM 34282 HW2 SOL 903 62.200 42.730 9.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34287 ATOM 34283 OW SOL 904 58.630 36.740 5.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34288 ATOM 34284 HW1 SOL 904 58.450 37.680 5.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34289 ATOM 34285 HW2 SOL 904 58.960 36.210 6.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34290 ATOM 34286 OW SOL 905 71.210 41.140 4.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34291 ATOM 34287 HW1 SOL 905 70.670 41.870 3.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34292 ATOM 34288 HW2 SOL 905 70.860 40.960 4.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34293 ATOM 34289 OW SOL 906 68.330 41.640 9.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34294 ATOM 34290 HW1 SOL 906 68.630 42.100 10.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34295 ATOM 34291 HW2 SOL 906 68.710 40.720 9.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34296 ATOM 34292 OW SOL 907 62.660 52.360 19.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34297 ATOM 34293 HW1 SOL 907 61.890 52.860 19.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34298 ATOM 34294 HW2 SOL 907 62.470 52.160 18.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34299 ATOM 34295 OW SOL 908 58.410 47.240 18.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34300 ATOM 34296 HW1 SOL 908 59.280 47.710 17.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34301 ATOM 34297 HW2 SOL 908 58.010 47.040 17.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34302 ATOM 34298 OW SOL 909 71.790 39.040 2.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34303 ATOM 34299 HW1 SOL 909 72.030 39.520 1.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34304 ATOM 34300 HW2 SOL 909 71.410 39.690 2.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34305 ATOM 34301 OW SOL 910 70.460 43.100 1.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34306 ATOM 34302 HW1 SOL 910 71.430 43.210 1.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34307 ATOM 34303 HW2 SOL 910 70.330 42.310 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34308 ATOM 34304 OW SOL 911 64.770 50.610 8.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34309 ATOM 34305 HW1 SOL 911 65.290 49.980 8.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34310 ATOM 34306 HW2 SOL 911 64.850 51.540 8.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34311 ATOM 34307 OW SOL 912 60.450 45.340 10.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34312 ATOM 34308 HW1 SOL 912 60.600 45.230 11.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34313 ATOM 34309 HW2 SOL 912 61.090 44.750 9.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34314 ATOM 34310 OW SOL 913 59.960 41.470 10.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34315 ATOM 34311 HW1 SOL 913 59.760 42.350 9.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34316 ATOM 34312 HW2 SOL 913 60.370 40.850 9.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34317 ATOM 34313 OW SOL 914 66.980 41.050 16.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34318 ATOM 34314 HW1 SOL 914 66.780 41.880 17.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34319 ATOM 34315 HW2 SOL 914 67.920 41.090 16.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34320 ATOM 34316 OW SOL 915 66.560 39.000 15.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34321 ATOM 34317 HW1 SOL 915 66.610 39.810 15.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34322 ATOM 34318 HW2 SOL 915 67.170 39.120 14.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34323 ATOM 34319 OW SOL 916 56.730 47.820 0.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34324 ATOM 34320 HW1 SOL 916 55.940 47.300 0.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34325 ATOM 34321 HW2 SOL 916 57.330 47.220 1.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34326 ATOM 34322 OW SOL 917 55.200 55.250 7.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34327 ATOM 34323 HW1 SOL 917 54.710 54.620 7.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34328 ATOM 34324 HW2 SOL 917 56.180 55.180 7.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34329 ATOM 34325 OW SOL 918 61.720 51.360 8.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34330 ATOM 34326 HW1 SOL 918 62.600 51.740 8.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34331 ATOM 34327 HW2 SOL 918 61.450 50.660 7.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34332 ATOM 34328 OW SOL 919 66.510 45.280 12.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34333 ATOM 34329 HW1 SOL 919 66.760 44.430 13.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34334 ATOM 34330 HW2 SOL 919 65.840 45.090 12.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34335 ATOM 34331 OW SOL 920 55.790 44.310 12.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34336 ATOM 34332 HW1 SOL 920 56.520 44.680 12.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34337 ATOM 34333 HW2 SOL 920 55.060 44.980 12.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34338 ATOM 34334 OW SOL 921 57.180 44.170 16.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34339 ATOM 34335 HW1 SOL 921 58.010 43.880 15.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34340 ATOM 34336 HW2 SOL 921 56.930 45.090 16.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34341 ATOM 34337 OW SOL 922 67.630 46.600 15.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34342 ATOM 34338 HW1 SOL 922 68.050 47.490 14.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34343 ATOM 34339 HW2 SOL 922 67.210 46.240 14.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34344 ATOM 34340 OW SOL 923 64.440 41.140 3.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34345 ATOM 34341 HW1 SOL 923 65.020 40.350 3.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34346 ATOM 34342 HW2 SOL 923 65.010 41.940 4.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34347 ATOM 34343 OW SOL 924 57.490 53.030 16.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34348 ATOM 34344 HW1 SOL 924 56.820 52.720 17.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34349 ATOM 34345 HW2 SOL 924 58.380 52.610 16.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34350 ATOM 34346 OW SOL 925 62.890 41.420 12.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34351 ATOM 34347 HW1 SOL 925 62.130 40.780 12.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34352 ATOM 34348 HW2 SOL 925 62.850 41.850 11.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34353 ATOM 34349 OW SOL 926 63.670 54.510 15.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34354 ATOM 34350 HW1 SOL 926 64.340 55.240 15.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34355 ATOM 34351 HW2 SOL 926 63.830 54.110 14.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34356 ATOM 34352 OW SOL 927 56.150 40.580 3.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34357 ATOM 34353 HW1 SOL 927 55.590 40.000 3.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34358 ATOM 34354 HW2 SOL 927 56.330 41.450 3.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34359 ATOM 34355 OW SOL 928 56.300 48.940 16.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34360 ATOM 34356 HW1 SOL 928 56.180 49.080 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34361 ATOM 34357 HW2 SOL 928 56.020 48.010 15.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34362 ATOM 34358 OW SOL 929 69.350 49.050 12.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34363 ATOM 34359 HW1 SOL 929 69.380 48.220 11.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34364 ATOM 34360 HW2 SOL 929 69.760 49.800 11.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34365 ATOM 34361 OW SOL 930 67.630 44.090 3.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34366 ATOM 34362 HW1 SOL 930 68.600 44.150 3.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34367 ATOM 34363 HW2 SOL 930 67.350 44.940 2.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34368 ATOM 34364 OW SOL 931 72.390 54.550 10.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34369 ATOM 34365 HW1 SOL 931 72.790 53.880 9.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34370 ATOM 34366 HW2 SOL 931 72.120 54.100 11.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34371 ATOM 34367 OW SOL 932 67.470 54.990 11.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34372 ATOM 34368 HW1 SOL 932 67.730 54.650 10.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34373 ATOM 34369 HW2 SOL 932 67.700 54.310 12.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34374 ATOM 34370 OW SOL 933 57.330 48.320 11.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34375 ATOM 34371 HW1 SOL 933 56.710 48.770 12.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34376 ATOM 34372 HW2 SOL 933 56.850 48.160 10.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34377 ATOM 34373 OW SOL 934 62.470 56.030 17.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34378 ATOM 34374 HW1 SOL 934 61.680 55.880 16.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34379 ATOM 34375 HW2 SOL 934 63.110 55.270 17.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34380 ATOM 34376 OW SOL 935 69.290 38.120 72.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34381 ATOM 34377 HW1 SOL 935 70.210 38.000 72.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34382 ATOM 34378 HW2 SOL 935 69.070 37.370 73.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34383 ATOM 34379 OW SOL 936 69.790 53.050 5.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34384 ATOM 34380 HW1 SOL 936 70.740 52.890 5.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34385 ATOM 34381 HW2 SOL 936 69.610 54.040 5.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34386 ATOM 34382 OW SOL 937 53.650 55.810 18.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34387 ATOM 34383 HW1 SOL 937 52.740 55.400 19.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34388 ATOM 34384 HW2 SOL 937 54.220 55.470 19.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34389 ATOM 34385 OW SOL 938 66.630 46.640 7.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34390 ATOM 34386 HW1 SOL 938 67.450 46.120 7.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34391 ATOM 34387 HW2 SOL 938 65.910 46.020 6.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34392 ATOM 34388 OW SOL 939 62.310 49.270 15.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34393 ATOM 34389 HW1 SOL 939 62.520 50.240 15.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34394 ATOM 34390 HW2 SOL 939 61.580 49.190 15.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34395 ATOM 34391 OW SOL 940 62.680 51.730 2.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34396 ATOM 34392 HW1 SOL 940 63.440 51.080 2.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34397 ATOM 34393 HW2 SOL 940 61.870 51.330 1.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34398 ATOM 34394 OW SOL 941 57.400 39.050 6.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34399 ATOM 34395 HW1 SOL 941 56.600 39.460 6.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34400 ATOM 34396 HW2 SOL 941 57.390 39.240 7.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34401 ATOM 34397 OW SOL 942 68.280 52.360 72.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34402 ATOM 34398 HW1 SOL 942 67.530 52.270 73.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34403 ATOM 34399 HW2 SOL 942 68.120 51.760 71.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34404 ATOM 34400 OW SOL 943 63.710 47.080 14.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34405 ATOM 34401 HW1 SOL 943 64.030 47.430 13.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34406 ATOM 34402 HW2 SOL 943 63.210 47.800 15.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34407 ATOM 34403 OW SOL 944 64.940 43.900 4.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34408 ATOM 34404 HW1 SOL 944 65.910 44.040 3.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34409 ATOM 34405 HW2 SOL 944 64.770 44.170 4.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34410 ATOM 34406 OW SOL 945 71.030 52.650 0.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34411 ATOM 34407 HW1 SOL 945 70.070 52.730 0.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34412 ATOM 34408 HW2 SOL 945 71.110 52.020 1.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34413 ATOM 34409 OW SOL 946 58.480 50.090 14.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34414 ATOM 34410 HW1 SOL 946 58.400 50.730 13.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34415 ATOM 34411 HW2 SOL 946 57.600 49.660 14.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34416 ATOM 34412 OW SOL 947 65.850 49.640 5.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34417 ATOM 34413 HW1 SOL 947 66.290 49.390 5.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34418 ATOM 34414 HW2 SOL 947 66.350 50.400 6.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34419 ATOM 34415 OW SOL 948 64.570 38.330 10.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34420 ATOM 34416 HW1 SOL 948 63.630 38.670 10.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34421 ATOM 34417 HW2 SOL 948 64.560 37.330 10.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34422 ATOM 34418 OW SOL 949 60.700 51.470 5.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34423 ATOM 34419 HW1 SOL 949 60.550 50.890 4.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34424 ATOM 34420 HW2 SOL 949 59.840 51.900 5.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34425 ATOM 34421 OW SOL 950 57.530 49.760 3.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34426 ATOM 34422 HW1 SOL 950 57.220 48.950 3.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34427 ATOM 34423 HW2 SOL 950 57.390 49.610 4.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34428 ATOM 34424 OW SOL 951 56.330 48.910 19.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34429 ATOM 34425 HW1 SOL 951 55.460 48.420 19.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34430 ATOM 34426 HW2 SOL 951 57.080 48.260 19.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34431 ATOM 34427 OW SOL 952 62.210 37.510 16.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34432 ATOM 34428 HW1 SOL 952 62.960 37.960 16.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34433 ATOM 34429 HW2 SOL 952 62.410 37.490 17.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34434 ATOM 34430 OW SOL 953 56.810 41.500 70.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34435 ATOM 34431 HW1 SOL 953 56.670 42.180 71.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34436 ATOM 34432 HW2 SOL 953 57.780 41.470 70.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34437 ATOM 34433 OW SOL 954 68.750 43.420 11.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34438 ATOM 34434 HW1 SOL 954 68.350 44.150 12.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34439 ATOM 34435 HW2 SOL 954 69.700 43.650 11.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34440 ATOM 34436 OW SOL 955 56.240 37.180 1.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34441 ATOM 34437 HW1 SOL 955 55.740 37.780 1.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34442 ATOM 34438 HW2 SOL 955 57.090 37.610 2.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34443 ATOM 34439 OW SOL 956 66.460 51.700 1.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34444 ATOM 34440 HW1 SOL 956 65.790 50.950 1.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34445 ATOM 34441 HW2 SOL 956 66.840 51.720 2.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34446 ATOM 34442 OW SOL 957 63.510 44.430 13.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34447 ATOM 34443 HW1 SOL 957 63.810 45.310 14.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34448 ATOM 34444 HW2 SOL 957 63.700 43.710 14.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34449 ATOM 34445 OW SOL 958 68.530 54.700 9.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34450 ATOM 34446 HW1 SOL 958 69.240 55.350 8.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34451 ATOM 34447 HW2 SOL 958 68.880 53.770 8.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34452 ATOM 34448 OW SOL 959 61.280 41.980 17.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34453 ATOM 34449 HW1 SOL 959 61.060 42.530 17.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34454 ATOM 34450 HW2 SOL 959 61.010 41.030 17.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34455 ATOM 34451 OW SOL 960 69.480 48.610 15.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34456 ATOM 34452 HW1 SOL 960 70.160 49.270 15.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34457 ATOM 34453 HW2 SOL 960 69.510 48.560 16.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34458 ATOM 34454 OW SOL 961 57.530 55.540 15.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34459 ATOM 34455 HW1 SOL 961 56.650 55.800 15.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34460 ATOM 34456 HW2 SOL 961 57.500 54.580 16.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34461 ATOM 34457 OW SOL 962 71.220 44.540 11.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34462 ATOM 34458 HW1 SOL 962 71.850 43.780 11.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34463 ATOM 34459 HW2 SOL 962 71.410 45.280 12.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34464 ATOM 34460 OW SOL 963 66.970 39.670 3.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34465 ATOM 34461 HW1 SOL 963 67.280 38.710 3.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34466 ATOM 34462 HW2 SOL 963 66.880 39.980 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34467 ATOM 34463 OW SOL 964 61.180 43.280 7.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34468 ATOM 34464 HW1 SOL 964 61.520 43.150 6.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34469 ATOM 34465 HW2 SOL 964 60.190 43.140 7.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34470 ATOM 34466 OW SOL 965 0.330 47.340 16.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34471 ATOM 34467 HW1 SOL 965 -0.140 47.800 17.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34472 ATOM 34468 HW2 SOL 965 0.380 47.960 15.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34473 ATOM 34469 OW SOL 966 64.400 49.550 2.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34474 ATOM 34470 HW1 SOL 966 64.140 49.000 2.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34475 ATOM 34471 HW2 SOL 966 64.090 49.100 1.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34476 ATOM 34472 OW SOL 967 62.980 54.000 10.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34477 ATOM 34473 HW1 SOL 967 62.190 54.570 10.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34478 ATOM 34474 HW2 SOL 967 63.300 53.520 9.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34479 ATOM 34475 OW SOL 968 63.940 46.080 8.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34480 ATOM 34476 HW1 SOL 968 64.470 45.820 9.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34481 ATOM 34477 HW2 SOL 968 63.580 47.010 8.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34482 ATOM 34478 OW SOL 969 66.970 46.160 1.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34483 ATOM 34479 HW1 SOL 969 66.240 45.820 0.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34484 ATOM 34480 HW2 SOL 969 66.890 47.150 1.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34485 ATOM 34481 OW SOL 970 0.830 50.630 9.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34486 ATOM 34482 HW1 SOL 970 -0.120 50.880 9.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34487 ATOM 34483 HW2 SOL 970 0.890 49.660 9.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34488 ATOM 34484 OW SOL 971 58.010 51.400 19.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34489 ATOM 34485 HW1 SOL 971 58.100 50.560 18.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34490 ATOM 34486 HW2 SOL 971 57.120 51.820 19.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34491 ATOM 34487 OW SOL 972 57.430 46.350 7.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34492 ATOM 34488 HW1 SOL 972 57.700 46.030 8.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34493 ATOM 34489 HW2 SOL 972 57.760 45.710 6.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34494 ATOM 34490 OW SOL 973 62.290 52.310 16.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34495 ATOM 34491 HW1 SOL 973 61.290 52.350 16.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34496 ATOM 34492 HW2 SOL 973 62.670 53.200 15.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34497 ATOM 34493 OW SOL 974 71.120 37.760 13.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34498 ATOM 34494 HW1 SOL 974 71.180 36.820 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34499 ATOM 34495 HW2 SOL 974 71.120 38.400 12.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34500 ATOM 34496 OW SOL 975 59.160 40.980 6.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34501 ATOM 34497 HW1 SOL 975 59.380 41.080 5.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34502 ATOM 34498 HW2 SOL 975 58.430 40.310 6.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34503 ATOM 34499 OW SOL 976 59.790 41.740 12.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34504 ATOM 34500 HW1 SOL 976 59.820 40.850 13.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34505 ATOM 34501 HW2 SOL 976 59.880 41.610 11.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34506 ATOM 34502 OW SOL 977 62.480 53.400 5.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34507 ATOM 34503 HW1 SOL 977 62.230 54.350 5.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34508 ATOM 34504 HW2 SOL 977 61.760 52.800 5.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34509 ATOM 34505 OW SOL 978 68.250 37.190 10.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34510 ATOM 34506 HW1 SOL 978 68.330 36.190 10.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34511 ATOM 34507 HW2 SOL 978 68.170 37.560 11.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34512 ATOM 34508 OW SOL 979 64.740 36.380 12.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34513 ATOM 34509 HW1 SOL 979 64.270 35.500 12.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34514 ATOM 34510 HW2 SOL 979 65.710 36.240 12.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34515 ATOM 34511 OW SOL 980 63.850 47.820 4.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34516 ATOM 34512 HW1 SOL 980 64.450 48.230 4.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34517 ATOM 34513 HW2 SOL 980 63.740 46.840 4.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34518 ATOM 34514 OW SOL 981 60.790 53.760 13.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34519 ATOM 34515 HW1 SOL 981 60.840 54.580 14.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34520 ATOM 34516 HW2 SOL 981 61.650 53.250 13.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34521 ATOM 34517 OW SOL 982 68.830 35.910 1.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34522 ATOM 34518 HW1 SOL 982 69.280 35.210 0.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34523 ATOM 34519 HW2 SOL 982 68.030 35.510 1.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34524 ATOM 34520 OW SOL 983 67.020 40.420 6.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34525 ATOM 34521 HW1 SOL 983 66.540 41.190 7.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34526 ATOM 34522 HW2 SOL 983 66.700 39.570 7.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34527 ATOM 34523 OW SOL 984 71.230 40.040 11.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34528 ATOM 34524 HW1 SOL 984 70.600 39.830 10.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34529 ATOM 34525 HW2 SOL 984 70.920 40.870 11.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34530 ATOM 34526 OW SOL 985 55.690 45.760 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34531 ATOM 34527 HW1 SOL 985 56.610 46.090 2.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34532 ATOM 34528 HW2 SOL 985 55.730 44.800 3.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34533 ATOM 34529 OW SOL 986 62.000 54.430 2.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34534 ATOM 34530 HW1 SOL 986 62.410 54.680 1.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34535 ATOM 34531 HW2 SOL 986 62.380 53.570 2.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34536 ATOM 34532 OW SOL 987 58.080 43.320 19.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34537 ATOM 34533 HW1 SOL 987 57.490 42.720 19.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34538 ATOM 34534 HW2 SOL 987 57.640 43.520 18.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34539 ATOM 34535 OW SOL 988 56.680 40.600 27.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34540 ATOM 34536 HW1 SOL 988 55.850 40.590 27.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34541 ATOM 34537 HW2 SOL 988 56.840 39.690 27.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34542 ATOM 34538 OW SOL 989 54.930 39.020 23.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34543 ATOM 34539 HW1 SOL 989 54.250 39.670 24.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34544 ATOM 34540 HW2 SOL 989 55.320 38.530 24.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34545 ATOM 34541 OW SOL 990 58.930 48.470 29.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34546 ATOM 34542 HW1 SOL 990 58.860 49.400 29.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34547 ATOM 34543 HW2 SOL 990 58.870 48.490 30.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34548 ATOM 34544 OW SOL 991 70.340 50.190 23.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34549 ATOM 34545 HW1 SOL 991 69.520 50.340 24.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34550 ATOM 34546 HW2 SOL 991 70.250 50.670 23.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34551 ATOM 34547 OW SOL 992 67.220 43.600 25.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34552 ATOM 34548 HW1 SOL 992 67.670 44.440 25.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34553 ATOM 34549 HW2 SOL 992 66.680 43.810 26.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34554 ATOM 34550 OW SOL 993 1.230 41.000 20.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34555 ATOM 34551 HW1 SOL 993 0.870 41.340 19.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34556 ATOM 34552 HW2 SOL 993 0.480 40.610 21.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34557 ATOM 34553 OW SOL 994 60.820 46.750 28.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34558 ATOM 34554 HW1 SOL 994 60.080 47.430 28.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34559 ATOM 34555 HW2 SOL 994 61.540 47.120 28.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34560 ATOM 34556 OW SOL 995 64.500 44.330 37.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34561 ATOM 34557 HW1 SOL 995 64.720 44.100 37.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34562 ATOM 34558 HW2 SOL 995 65.340 44.510 36.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34563 ATOM 34559 OW SOL 996 61.680 45.860 25.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34564 ATOM 34560 HW1 SOL 996 62.660 45.690 25.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34565 ATOM 34561 HW2 SOL 996 61.390 46.620 25.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34566 ATOM 34562 OW SOL 997 62.170 47.610 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34567 ATOM 34563 HW1 SOL 997 62.500 48.450 37.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34568 ATOM 34564 HW2 SOL 997 61.570 47.840 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34569 ATOM 34565 OW SOL 998 57.600 50.890 28.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34570 ATOM 34566 HW1 SOL 998 56.770 50.330 28.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34571 ATOM 34567 HW2 SOL 998 57.700 51.350 27.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34572 ATOM 34568 OW SOL 999 69.280 50.850 33.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34573 ATOM 34569 HW1 SOL 999 69.470 50.740 33.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34574 ATOM 34570 HW2 SOL 999 68.540 50.240 32.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34575 ATOM 34571 OW SOL 1000 59.040 39.160 33.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34576 ATOM 34572 HW1 SOL 1000 59.980 38.830 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34577 ATOM 34573 HW2 SOL 1000 58.770 38.980 34.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34578 ATOM 34574 OW SOL 1001 57.710 55.440 23.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34579 ATOM 34575 HW1 SOL 1001 57.720 56.360 23.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34580 ATOM 34576 HW2 SOL 1001 58.250 55.460 22.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34581 ATOM 34577 OW SOL 1002 66.040 49.440 36.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34582 ATOM 34578 HW1 SOL 1002 65.920 49.590 37.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34583 ATOM 34579 HW2 SOL 1002 65.780 48.500 35.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34584 ATOM 34580 OW SOL 1003 56.070 53.140 23.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34585 ATOM 34581 HW1 SOL 1003 56.740 53.880 23.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34586 ATOM 34582 HW2 SOL 1003 56.300 52.400 23.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34587 ATOM 34583 OW SOL 1004 56.520 48.580 26.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34588 ATOM 34584 HW1 SOL 1004 56.490 47.590 26.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34589 ATOM 34585 HW2 SOL 1004 56.220 49.030 27.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34590 ATOM 34586 OW SOL 1005 60.970 54.230 33.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34591 ATOM 34587 HW1 SOL 1005 60.370 54.450 34.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34592 ATOM 34588 HW2 SOL 1005 61.290 55.080 32.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34593 ATOM 34589 OW SOL 1006 62.920 45.380 20.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34594 ATOM 34590 HW1 SOL 1006 62.330 45.850 21.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34595 ATOM 34591 HW2 SOL 1006 63.860 45.360 21.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34596 ATOM 34592 OW SOL 1007 71.320 37.260 33.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34597 ATOM 34593 HW1 SOL 1007 71.310 37.000 32.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34598 ATOM 34594 HW2 SOL 1007 70.930 38.180 33.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34599 ATOM 34595 OW SOL 1008 56.180 41.370 22.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34600 ATOM 34596 HW1 SOL 1008 55.990 40.380 22.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34601 ATOM 34597 HW2 SOL 1008 56.680 41.590 23.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34602 ATOM 34598 OW SOL 1009 55.380 52.770 18.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34603 ATOM 34599 HW1 SOL 1009 54.510 52.290 18.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34604 ATOM 34600 HW2 SOL 1009 55.240 53.510 19.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34605 ATOM 34601 OW SOL 1010 0.000 49.060 20.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34606 ATOM 34602 HW1 SOL 1010 0.620 48.350 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34607 ATOM 34603 HW2 SOL 1010 -0.590 48.690 20.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34608 ATOM 34604 OW SOL 1011 55.430 44.090 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34609 ATOM 34605 HW1 SOL 1011 55.740 44.730 32.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34610 ATOM 34606 HW2 SOL 1011 54.450 44.200 33.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34611 ATOM 34607 OW SOL 1012 60.600 50.640 26.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34612 ATOM 34608 HW1 SOL 1012 60.120 49.930 25.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34613 ATOM 34609 HW2 SOL 1012 60.620 51.480 25.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34614 ATOM 34610 OW SOL 1013 67.000 49.320 32.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34615 ATOM 34611 HW1 SOL 1013 66.770 48.670 31.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34616 ATOM 34612 HW2 SOL 1013 67.260 48.810 33.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34617 ATOM 34613 OW SOL 1014 64.680 37.620 24.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34618 ATOM 34614 HW1 SOL 1014 65.090 38.060 23.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34619 ATOM 34615 HW2 SOL 1014 63.750 37.960 24.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34620 ATOM 34616 OW SOL 1015 56.640 45.840 31.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34621 ATOM 34617 HW1 SOL 1015 57.560 45.490 31.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34622 ATOM 34618 HW2 SOL 1015 56.390 45.810 30.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34623 ATOM 34619 OW SOL 1016 72.120 45.530 19.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34624 ATOM 34620 HW1 SOL 1016 71.440 45.060 20.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34625 ATOM 34621 HW2 SOL 1016 72.840 45.900 20.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34626 ATOM 34622 OW SOL 1017 68.500 56.080 33.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34627 ATOM 34623 HW1 SOL 1017 68.860 56.070 32.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34628 ATOM 34624 HW2 SOL 1017 68.050 55.210 33.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34629 ATOM 34625 OW SOL 1018 58.780 39.410 36.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34630 ATOM 34626 HW1 SOL 1018 58.870 39.660 37.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34631 ATOM 34627 HW2 SOL 1018 57.830 39.540 36.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34632 ATOM 34628 OW SOL 1019 68.360 50.720 25.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34633 ATOM 34629 HW1 SOL 1019 68.400 51.340 26.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34634 ATOM 34630 HW2 SOL 1019 68.250 49.780 25.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34635 ATOM 34631 OW SOL 1020 71.730 50.930 28.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34636 ATOM 34632 HW1 SOL 1020 72.460 51.260 29.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34637 ATOM 34633 HW2 SOL 1020 72.070 50.820 28.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34638 ATOM 34634 OW SOL 1021 61.120 43.760 19.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34639 ATOM 34635 HW1 SOL 1021 61.680 44.590 19.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34640 ATOM 34636 HW2 SOL 1021 60.150 44.010 19.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34641 ATOM 34637 OW SOL 1022 68.340 39.630 27.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34642 ATOM 34638 HW1 SOL 1022 67.600 39.110 26.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34643 ATOM 34639 HW2 SOL 1022 67.970 40.150 28.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34644 ATOM 34640 OW SOL 1023 71.240 53.620 20.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34645 ATOM 34641 HW1 SOL 1023 71.570 54.560 20.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34646 ATOM 34642 HW2 SOL 1023 71.110 53.310 19.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34647 ATOM 34643 OW SOL 1024 61.200 41.240 32.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34648 ATOM 34644 HW1 SOL 1024 61.650 40.510 32.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34649 ATOM 34645 HW2 SOL 1024 61.000 40.910 31.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34650 ATOM 34646 OW SOL 1025 69.700 41.870 32.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34651 ATOM 34647 HW1 SOL 1025 70.520 42.430 32.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34652 ATOM 34648 HW2 SOL 1025 69.870 40.980 32.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34653 ATOM 34649 OW SOL 1026 65.000 45.760 33.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34654 ATOM 34650 HW1 SOL 1026 65.190 44.940 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34655 ATOM 34651 HW2 SOL 1026 64.420 46.380 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34656 ATOM 34652 OW SOL 1027 64.010 40.810 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34657 ATOM 34653 HW1 SOL 1027 63.110 40.430 29.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34658 ATOM 34654 HW2 SOL 1027 64.100 41.710 29.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34659 ATOM 34655 OW SOL 1028 66.190 43.100 22.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34660 ATOM 34656 HW1 SOL 1028 66.530 43.240 23.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34661 ATOM 34657 HW2 SOL 1028 65.410 42.470 22.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34662 ATOM 34658 OW SOL 1029 56.630 44.340 25.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34663 ATOM 34659 HW1 SOL 1029 57.020 44.830 25.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34664 ATOM 34660 HW2 SOL 1029 55.750 44.750 26.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34665 ATOM 34661 OW SOL 1030 56.730 54.720 34.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34666 ATOM 34662 HW1 SOL 1030 56.010 54.730 35.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34667 ATOM 34663 HW2 SOL 1030 56.840 55.640 33.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34668 ATOM 34664 OW SOL 1031 65.340 40.360 19.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34669 ATOM 34665 HW1 SOL 1031 66.190 40.800 19.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34670 ATOM 34666 HW2 SOL 1031 65.130 39.590 18.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34671 ATOM 34667 OW SOL 1032 71.240 44.610 33.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34672 ATOM 34668 HW1 SOL 1032 71.400 45.420 32.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34673 ATOM 34669 HW2 SOL 1032 72.040 44.430 33.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34674 ATOM 34670 OW SOL 1033 67.700 46.870 21.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34675 ATOM 34671 HW1 SOL 1033 67.950 46.380 20.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34676 ATOM 34672 HW2 SOL 1033 67.740 47.860 21.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34677 ATOM 34673 OW SOL 1034 59.490 39.510 23.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34678 ATOM 34674 HW1 SOL 1034 59.150 40.370 24.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34679 ATOM 34675 HW2 SOL 1034 58.740 39.040 23.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34680 ATOM 34676 OW SOL 1035 64.980 50.890 22.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34681 ATOM 34677 HW1 SOL 1035 64.800 51.700 21.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34682 ATOM 34678 HW2 SOL 1035 65.840 51.010 22.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34683 ATOM 34679 OW SOL 1036 58.970 54.660 27.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34684 ATOM 34680 HW1 SOL 1036 58.730 53.750 26.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34685 ATOM 34681 HW2 SOL 1036 59.960 54.720 27.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34686 ATOM 34682 OW SOL 1037 72.090 49.540 25.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34687 ATOM 34683 HW1 SOL 1037 71.400 49.900 24.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34688 ATOM 34684 HW2 SOL 1037 71.770 48.680 26.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34689 ATOM 34685 OW SOL 1038 67.740 53.590 33.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34690 ATOM 34686 HW1 SOL 1038 67.470 52.970 34.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34691 ATOM 34687 HW2 SOL 1038 67.480 53.190 32.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34692 ATOM 34688 OW SOL 1039 60.960 45.930 22.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34693 ATOM 34689 HW1 SOL 1039 61.260 46.010 23.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34694 ATOM 34690 HW2 SOL 1039 60.340 45.150 22.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34695 ATOM 34691 OW SOL 1040 70.680 44.590 24.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34696 ATOM 34692 HW1 SOL 1040 70.660 44.210 25.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34697 ATOM 34693 HW2 SOL 1040 71.500 44.280 24.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34698 ATOM 34694 OW SOL 1041 60.080 48.290 35.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34699 ATOM 34695 HW1 SOL 1041 59.910 47.320 35.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34700 ATOM 34696 HW2 SOL 1041 59.210 48.780 35.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34701 ATOM 34697 OW SOL 1042 67.340 52.790 20.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34702 ATOM 34698 HW1 SOL 1042 66.460 52.350 20.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34703 ATOM 34699 HW2 SOL 1042 67.510 52.870 19.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34704 ATOM 34700 OW SOL 1043 57.380 37.240 34.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34705 ATOM 34701 HW1 SOL 1043 57.040 38.110 35.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34706 ATOM 34702 HW2 SOL 1043 56.810 36.950 34.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34707 ATOM 34703 OW SOL 1044 58.860 55.280 20.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34708 ATOM 34704 HW1 SOL 1044 59.530 55.900 20.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34709 ATOM 34705 HW2 SOL 1044 59.160 54.340 20.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34710 ATOM 34706 OW SOL 1045 70.910 37.540 21.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34711 ATOM 34707 HW1 SOL 1045 70.360 36.940 20.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34712 ATOM 34708 HW2 SOL 1045 71.260 37.040 22.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34713 ATOM 34709 OW SOL 1046 58.540 55.410 29.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34714 ATOM 34710 HW1 SOL 1046 59.100 54.620 30.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34715 ATOM 34711 HW2 SOL 1046 58.380 55.400 28.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34716 ATOM 34712 OW SOL 1047 64.410 52.000 25.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34717 ATOM 34713 HW1 SOL 1047 65.100 51.980 24.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34718 ATOM 34714 HW2 SOL 1047 63.760 52.750 25.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34719 ATOM 34715 OW SOL 1048 58.990 43.810 21.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34720 ATOM 34716 HW1 SOL 1048 59.490 42.980 22.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34721 ATOM 34717 HW2 SOL 1048 58.670 43.760 21.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34722 ATOM 34718 OW SOL 1049 69.860 39.570 34.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34723 ATOM 34719 HW1 SOL 1049 69.770 39.810 34.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34724 ATOM 34720 HW2 SOL 1049 69.300 38.770 33.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34725 ATOM 34721 OW SOL 1050 62.900 37.260 19.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34726 ATOM 34722 HW1 SOL 1050 63.880 37.450 19.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34727 ATOM 34723 HW2 SOL 1050 62.750 36.280 19.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34728 ATOM 34724 OW SOL 1051 61.900 41.270 35.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34729 ATOM 34725 HW1 SOL 1051 62.210 40.880 36.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34730 ATOM 34726 HW2 SOL 1051 60.960 40.980 35.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34731 ATOM 34727 OW SOL 1052 65.910 52.170 27.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34732 ATOM 34728 HW1 SOL 1052 65.410 51.790 26.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34733 ATOM 34729 HW2 SOL 1052 65.430 51.930 28.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34734 ATOM 34730 OW SOL 1053 67.800 43.080 31.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34735 ATOM 34731 HW1 SOL 1053 68.590 42.760 31.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34736 ATOM 34732 HW2 SOL 1053 67.800 44.080 31.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34737 ATOM 34733 OW SOL 1054 62.570 48.310 27.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34738 ATOM 34734 HW1 SOL 1054 63.370 48.830 26.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34739 ATOM 34735 HW2 SOL 1054 61.800 48.940 27.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34740 ATOM 34736 OW SOL 1055 63.660 42.180 25.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34741 ATOM 34737 HW1 SOL 1055 63.640 42.010 24.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34742 ATOM 34738 HW2 SOL 1055 63.900 41.330 26.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34743 ATOM 34739 OW SOL 1056 62.230 38.790 23.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34744 ATOM 34740 HW1 SOL 1056 61.280 39.030 23.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34745 ATOM 34741 HW2 SOL 1056 62.610 39.490 24.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34746 ATOM 34742 OW SOL 1057 68.670 48.480 18.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34747 ATOM 34743 HW1 SOL 1057 68.310 47.750 18.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34748 ATOM 34744 HW2 SOL 1057 67.940 49.110 17.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34749 ATOM 34745 OW SOL 1058 56.610 41.320 20.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34750 ATOM 34746 HW1 SOL 1058 55.720 40.990 19.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34751 ATOM 34747 HW2 SOL 1058 56.680 41.170 21.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34752 ATOM 34748 OW SOL 1059 65.430 39.530 22.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34753 ATOM 34749 HW1 SOL 1059 65.400 39.290 21.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34754 ATOM 34750 HW2 SOL 1059 66.340 39.890 22.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34755 ATOM 34751 OW SOL 1060 65.600 43.630 32.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34756 ATOM 34752 HW1 SOL 1060 65.420 42.850 32.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34757 ATOM 34753 HW2 SOL 1060 66.380 43.420 31.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34758 ATOM 34754 OW SOL 1061 66.790 51.840 23.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34759 ATOM 34755 HW1 SOL 1061 66.910 52.830 23.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34760 ATOM 34756 HW2 SOL 1061 67.440 51.420 24.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34761 ATOM 34757 OW SOL 1062 59.340 48.140 25.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34762 ATOM 34758 HW1 SOL 1062 58.470 48.410 25.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34763 ATOM 34759 HW2 SOL 1062 59.180 47.380 24.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34764 ATOM 34760 OW SOL 1063 66.130 54.680 23.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34765 ATOM 34761 HW1 SOL 1063 65.430 54.960 23.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34766 ATOM 34762 HW2 SOL 1063 67.030 55.010 23.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34767 ATOM 34763 OW SOL 1064 66.720 42.930 18.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34768 ATOM 34764 HW1 SOL 1064 65.760 43.220 18.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34769 ATOM 34765 HW2 SOL 1064 67.230 43.300 17.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34770 ATOM 34766 OW SOL 1065 56.740 41.660 33.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34771 ATOM 34767 HW1 SOL 1065 57.290 41.390 32.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34772 ATOM 34768 HW2 SOL 1065 56.470 42.620 32.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34773 ATOM 34769 OW SOL 1066 59.150 38.320 28.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34774 ATOM 34770 HW1 SOL 1066 58.630 37.480 29.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34775 ATOM 34771 HW2 SOL 1066 59.250 38.480 27.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34776 ATOM 34772 OW SOL 1067 63.820 41.580 23.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34777 ATOM 34773 HW1 SOL 1067 63.470 41.980 22.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34778 ATOM 34774 HW2 SOL 1067 64.240 40.700 22.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34779 ATOM 34775 OW SOL 1068 66.480 37.840 26.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34780 ATOM 34776 HW1 SOL 1068 65.660 37.590 25.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34781 ATOM 34777 HW2 SOL 1068 66.580 37.250 27.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34782 ATOM 34778 OW SOL 1069 68.690 48.400 27.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34783 ATOM 34779 HW1 SOL 1069 68.940 48.640 28.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34784 ATOM 34780 HW2 SOL 1069 68.450 47.430 27.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34785 ATOM 34781 OW SOL 1070 70.260 43.790 27.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34786 ATOM 34782 HW1 SOL 1070 70.150 42.910 26.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34787 ATOM 34783 HW2 SOL 1070 70.810 43.650 28.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34788 ATOM 34784 OW SOL 1071 0.060 43.590 23.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34789 ATOM 34785 HW1 SOL 1071 0.890 43.670 23.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34790 ATOM 34786 HW2 SOL 1071 0.320 43.520 22.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34791 ATOM 34787 OW SOL 1072 58.010 50.000 22.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34792 ATOM 34788 HW1 SOL 1072 57.700 49.060 22.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34793 ATOM 34789 HW2 SOL 1072 58.050 50.500 21.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34794 ATOM 34790 OW SOL 1073 69.850 41.990 18.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34795 ATOM 34791 HW1 SOL 1073 69.270 42.400 19.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34796 ATOM 34792 HW2 SOL 1073 70.810 42.080 19.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34797 ATOM 34793 OW SOL 1074 60.660 38.310 20.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34798 ATOM 34794 HW1 SOL 1074 61.420 37.960 19.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34799 ATOM 34795 HW2 SOL 1074 60.210 39.050 19.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34800 ATOM 34796 OW SOL 1075 64.990 51.220 30.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34801 ATOM 34797 HW1 SOL 1075 64.090 50.820 30.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34802 ATOM 34798 HW2 SOL 1075 65.570 51.100 30.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34803 ATOM 34799 OW SOL 1076 70.900 50.820 35.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34804 ATOM 34800 HW1 SOL 1076 71.860 51.090 35.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34805 ATOM 34801 HW2 SOL 1076 70.840 49.830 35.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34806 ATOM 34802 OW SOL 1077 65.980 48.890 28.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34807 ATOM 34803 HW1 SOL 1077 65.370 49.660 29.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34808 ATOM 34804 HW2 SOL 1077 66.260 48.910 27.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34809 ATOM 34805 OW SOL 1078 72.350 48.260 29.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34810 ATOM 34806 HW1 SOL 1078 71.870 47.390 29.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34811 ATOM 34807 HW2 SOL 1078 71.790 49.000 29.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34812 ATOM 34808 OW SOL 1079 64.050 38.030 31.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34813 ATOM 34809 HW1 SOL 1079 63.650 37.990 30.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34814 ATOM 34810 HW2 SOL 1079 65.000 38.320 31.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34815 ATOM 34811 OW SOL 1080 64.760 47.230 36.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34816 ATOM 34812 HW1 SOL 1080 63.830 47.310 36.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34817 ATOM 34813 HW2 SOL 1080 64.770 46.570 35.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34818 ATOM 34814 OW SOL 1081 64.270 47.130 23.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34819 ATOM 34815 HW1 SOL 1081 64.280 46.590 24.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34820 ATOM 34816 HW2 SOL 1081 64.480 46.540 22.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34821 ATOM 34817 OW SOL 1082 59.220 45.280 31.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34822 ATOM 34818 HW1 SOL 1082 59.050 44.320 31.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34823 ATOM 34819 HW2 SOL 1082 59.570 45.350 32.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34824 ATOM 34820 OW SOL 1083 66.900 40.760 29.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34825 ATOM 34821 HW1 SOL 1083 67.430 41.590 29.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34826 ATOM 34822 HW2 SOL 1083 65.940 41.000 29.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34827 ATOM 34823 OW SOL 1084 56.390 51.950 33.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34828 ATOM 34824 HW1 SOL 1084 56.590 52.890 33.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34829 ATOM 34825 HW2 SOL 1084 56.930 51.700 32.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34830 ATOM 34826 OW SOL 1085 56.810 47.700 22.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34831 ATOM 34827 HW1 SOL 1085 57.190 47.330 23.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34832 ATOM 34828 HW2 SOL 1085 56.610 46.950 21.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34833 ATOM 34829 OW SOL 1086 60.170 43.710 25.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34834 ATOM 34830 HW1 SOL 1086 60.970 44.310 25.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34835 ATOM 34831 HW2 SOL 1086 60.090 43.210 26.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34836 ATOM 34832 OW SOL 1087 67.760 49.680 21.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34837 ATOM 34833 HW1 SOL 1087 68.120 50.600 22.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34838 ATOM 34834 HW2 SOL 1087 67.490 49.270 22.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34839 ATOM 34835 OW SOL 1088 69.060 49.450 29.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34840 ATOM 34836 HW1 SOL 1088 68.510 49.660 30.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34841 ATOM 34837 HW2 SOL 1088 69.630 50.240 29.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34842 ATOM 34838 OW SOL 1089 71.370 41.300 24.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34843 ATOM 34839 HW1 SOL 1089 70.830 41.230 24.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34844 ATOM 34840 HW2 SOL 1089 71.620 42.260 23.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34845 ATOM 34841 OW SOL 1090 57.680 51.780 31.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34846 ATOM 34842 HW1 SOL 1090 57.580 51.440 30.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34847 ATOM 34843 HW2 SOL 1090 58.540 52.290 31.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34848 ATOM 34844 OW SOL 1091 59.420 41.930 34.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34849 ATOM 34845 HW1 SOL 1091 58.600 41.400 33.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34850 ATOM 34846 HW2 SOL 1091 60.070 41.840 33.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34851 ATOM 34847 OW SOL 1092 68.790 47.660 33.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34852 ATOM 34848 HW1 SOL 1092 68.310 46.780 33.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34853 ATOM 34849 HW2 SOL 1092 69.650 47.530 33.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34854 ATOM 34850 OW SOL 1093 65.340 38.950 35.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34855 ATOM 34851 HW1 SOL 1093 65.930 39.390 34.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34856 ATOM 34852 HW2 SOL 1093 65.860 38.780 35.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34857 ATOM 34853 OW SOL 1094 60.290 37.170 36.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34858 ATOM 34854 HW1 SOL 1094 59.780 36.490 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34859 ATOM 34855 HW2 SOL 1094 59.780 38.030 36.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34860 ATOM 34856 OW SOL 1095 61.820 44.220 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34861 ATOM 34857 HW1 SOL 1095 61.400 45.100 29.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34862 ATOM 34858 HW2 SOL 1095 61.660 44.010 30.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34863 ATOM 34859 OW SOL 1096 68.200 45.740 27.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34864 ATOM 34860 HW1 SOL 1096 67.450 45.540 28.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34865 ATOM 34861 HW2 SOL 1096 68.460 44.900 27.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34866 ATOM 34862 OW SOL 1097 68.290 42.540 20.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34867 ATOM 34863 HW1 SOL 1097 67.600 42.970 20.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34868 ATOM 34864 HW2 SOL 1097 67.870 42.260 21.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34869 ATOM 34865 OW SOL 1098 57.580 39.440 31.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34870 ATOM 34866 HW1 SOL 1098 57.970 39.460 31.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34871 ATOM 34867 HW2 SOL 1098 58.120 38.820 30.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34872 ATOM 34868 OW SOL 1099 54.710 50.700 31.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34873 ATOM 34869 HW1 SOL 1099 53.870 51.240 31.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34874 ATOM 34870 HW2 SOL 1099 55.210 50.730 32.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34875 ATOM 34871 OW SOL 1100 61.680 42.320 27.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34876 ATOM 34872 HW1 SOL 1100 62.300 42.380 26.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34877 ATOM 34873 HW2 SOL 1100 61.840 43.100 28.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34878 ATOM 34874 OW SOL 1101 57.600 38.040 22.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34879 ATOM 34875 HW1 SOL 1101 56.710 37.910 23.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34880 ATOM 34876 HW2 SOL 1101 57.880 37.190 22.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34881 ATOM 34877 OW SOL 1102 71.490 40.080 21.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34882 ATOM 34878 HW1 SOL 1102 71.130 39.150 21.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34883 ATOM 34879 HW2 SOL 1102 71.210 40.430 22.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34884 ATOM 34880 OW SOL 1103 65.320 43.810 27.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34885 ATOM 34881 HW1 SOL 1103 64.940 43.550 28.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34886 ATOM 34882 HW2 SOL 1103 64.950 43.210 26.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34887 ATOM 34883 OW SOL 1104 63.760 50.570 35.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34888 ATOM 34884 HW1 SOL 1104 63.890 51.510 35.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34889 ATOM 34885 HW2 SOL 1104 64.580 50.040 35.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34890 ATOM 34886 OW SOL 1105 59.960 44.990 34.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34891 ATOM 34887 HW1 SOL 1105 60.920 45.080 34.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34892 ATOM 34888 HW2 SOL 1105 59.660 44.050 34.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34893 ATOM 34889 OW SOL 1106 71.070 38.850 18.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34894 ATOM 34890 HW1 SOL 1106 70.900 38.350 19.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34895 ATOM 34891 HW2 SOL 1106 72.040 39.100 18.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34896 ATOM 34892 OW SOL 1107 68.110 44.080 16.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34897 ATOM 34893 HW1 SOL 1107 68.850 43.410 16.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34898 ATOM 34894 HW2 SOL 1107 68.280 44.810 15.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34899 ATOM 34895 OW SOL 1108 64.990 49.480 26.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34900 ATOM 34896 HW1 SOL 1108 65.640 48.930 25.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34901 ATOM 34897 HW2 SOL 1108 64.730 50.290 25.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34902 ATOM 34898 OW SOL 1109 57.490 46.160 28.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34903 ATOM 34899 HW1 SOL 1109 57.990 45.310 28.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34904 ATOM 34900 HW2 SOL 1109 58.080 46.790 28.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34905 ATOM 34901 OW SOL 1110 57.750 42.970 28.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34906 ATOM 34902 HW1 SOL 1110 57.500 42.000 28.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34907 ATOM 34903 HW2 SOL 1110 57.380 43.440 27.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34908 ATOM 34904 OW SOL 1111 66.890 40.910 33.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34909 ATOM 34905 HW1 SOL 1111 66.340 41.520 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34910 ATOM 34906 HW2 SOL 1111 67.710 41.390 33.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34911 ATOM 34907 OW SOL 1112 66.490 38.910 31.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34912 ATOM 34908 HW1 SOL 1112 66.810 39.510 32.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34913 ATOM 34909 HW2 SOL 1112 66.540 39.390 30.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34914 ATOM 34910 OW SOL 1113 53.870 47.820 18.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34915 ATOM 34911 HW1 SOL 1113 53.090 47.910 19.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34916 ATOM 34912 HW2 SOL 1113 54.280 46.910 18.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34917 ATOM 34913 OW SOL 1114 56.470 55.860 26.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34918 ATOM 34914 HW1 SOL 1114 55.750 55.190 26.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34919 ATOM 34915 HW2 SOL 1114 57.370 55.400 26.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34920 ATOM 34916 OW SOL 1115 57.930 52.470 25.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34921 ATOM 34917 HW1 SOL 1115 57.370 51.810 25.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34922 ATOM 34918 HW2 SOL 1115 58.810 52.580 25.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34923 ATOM 34919 OW SOL 1116 64.400 43.420 30.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34924 ATOM 34920 HW1 SOL 1116 63.490 43.830 30.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34925 ATOM 34921 HW2 SOL 1116 64.830 43.580 30.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34926 ATOM 34922 OW SOL 1117 55.180 42.800 29.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34927 ATOM 34923 HW1 SOL 1117 56.110 42.930 28.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34928 ATOM 34924 HW2 SOL 1117 55.140 42.000 29.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34929 ATOM 34925 OW SOL 1118 57.580 43.650 35.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34930 ATOM 34926 HW1 SOL 1118 58.270 42.940 35.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34931 ATOM 34927 HW2 SOL 1118 56.760 43.430 34.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34932 ATOM 34928 OW SOL 1119 67.740 45.130 33.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34933 ATOM 34929 HW1 SOL 1119 66.810 44.840 33.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34934 ATOM 34930 HW2 SOL 1119 68.310 45.090 32.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34935 ATOM 34931 OW SOL 1120 62.840 41.700 20.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34936 ATOM 34932 HW1 SOL 1120 63.720 41.260 20.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34937 ATOM 34933 HW2 SOL 1120 62.760 42.530 19.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34938 ATOM 34934 OW SOL 1121 58.320 52.760 37.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34939 ATOM 34935 HW1 SOL 1121 57.660 53.290 37.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34940 ATOM 34936 HW2 SOL 1121 57.930 51.860 37.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34941 ATOM 34937 OW SOL 1122 60.820 40.420 29.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34942 ATOM 34938 HW1 SOL 1122 60.260 39.630 29.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34943 ATOM 34939 HW2 SOL 1122 60.850 41.060 28.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34944 ATOM 34940 OW SOL 1123 63.800 53.000 33.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34945 ATOM 34941 HW1 SOL 1123 62.840 53.150 33.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34946 ATOM 34942 HW2 SOL 1123 64.390 53.090 33.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34947 ATOM 34943 OW SOL 1124 59.410 40.440 19.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34948 ATOM 34944 HW1 SOL 1124 59.320 41.230 18.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34949 ATOM 34945 HW2 SOL 1124 59.370 40.750 20.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34950 ATOM 34946 OW SOL 1125 56.450 47.980 32.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34951 ATOM 34947 HW1 SOL 1125 56.960 47.630 33.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34952 ATOM 34948 HW2 SOL 1125 56.670 47.430 32.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34953 ATOM 34949 OW SOL 1126 66.230 46.640 30.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34954 ATOM 34950 HW1 SOL 1126 65.350 46.440 30.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34955 ATOM 34951 HW2 SOL 1126 66.110 47.360 29.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34956 ATOM 34952 OW SOL 1127 70.250 44.750 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34957 ATOM 34953 HW1 SOL 1127 69.620 44.000 21.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34958 ATOM 34954 HW2 SOL 1127 70.540 44.700 22.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34959 ATOM 34955 OW SOL 1128 71.300 54.030 30.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34960 ATOM 34956 HW1 SOL 1128 72.150 54.060 29.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34961 ATOM 34957 HW2 SOL 1128 71.460 53.560 31.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34962 ATOM 34958 OW SOL 1129 69.140 52.400 30.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34963 ATOM 34959 HW1 SOL 1129 70.000 52.900 30.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34964 ATOM 34960 HW2 SOL 1129 69.280 51.700 31.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34965 ATOM 34961 OW SOL 1130 55.560 49.170 29.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34966 ATOM 34962 HW1 SOL 1130 55.450 49.700 30.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34967 ATOM 34963 HW2 SOL 1130 54.720 48.650 29.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34968 ATOM 34964 OW SOL 1131 62.740 54.270 36.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34969 ATOM 34965 HW1 SOL 1131 62.090 55.030 36.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34970 ATOM 34966 HW2 SOL 1131 63.150 54.150 35.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34971 ATOM 34967 OW SOL 1132 69.440 52.110 21.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34972 ATOM 34968 HW1 SOL 1132 70.240 52.530 21.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34973 ATOM 34969 HW2 SOL 1132 68.610 52.390 21.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34974 ATOM 34970 OW SOL 1133 55.320 55.190 36.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34975 ATOM 34971 HW1 SOL 1133 54.970 54.360 37.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34976 ATOM 34972 HW2 SOL 1133 56.180 55.460 37.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34977 ATOM 34973 OW SOL 1134 68.250 45.790 24.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34978 ATOM 34974 HW1 SOL 1134 69.190 45.460 24.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34979 ATOM 34975 HW2 SOL 1134 68.130 46.120 23.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34980 ATOM 34976 OW SOL 1135 62.580 49.530 30.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34981 ATOM 34977 HW1 SOL 1135 62.350 49.520 31.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34982 ATOM 34978 HW2 SOL 1135 62.090 50.280 30.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34983 ATOM 34979 OW SOL 1136 60.340 52.450 20.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34984 ATOM 34980 HW1 SOL 1136 60.680 51.890 21.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34985 ATOM 34981 HW2 SOL 1136 59.490 52.060 20.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34986 ATOM 34982 OW SOL 1137 58.070 41.490 24.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34987 ATOM 34983 HW1 SOL 1137 57.530 41.350 25.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34988 ATOM 34984 HW2 SOL 1137 58.790 42.160 25.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34989 ATOM 34985 OW SOL 1138 68.110 52.450 17.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34990 ATOM 34986 HW1 SOL 1138 67.540 51.700 17.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34991 ATOM 34987 HW2 SOL 1138 67.750 52.790 16.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34992 ATOM 34988 OW SOL 1139 63.520 46.580 31.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34993 ATOM 34989 HW1 SOL 1139 62.880 46.060 30.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34994 ATOM 34990 HW2 SOL 1139 63.250 47.550 31.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34995 ATOM 34991 OW SOL 1140 65.260 45.450 21.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34996 ATOM 34992 HW1 SOL 1140 66.140 45.930 21.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34997 ATOM 34993 HW2 SOL 1140 65.380 44.570 22.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34998 ATOM 34994 OW SOL 1141 70.710 52.860 18.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
34999 ATOM 34995 HW1 SOL 1141 69.710 52.870 18.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35000 ATOM 34996 HW2 SOL 1141 71.020 51.950 17.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35001 ATOM 34997 OW SOL 1142 58.770 49.290 32.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35002 ATOM 34998 HW1 SOL 1142 58.760 50.220 31.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35003 ATOM 34999 HW2 SOL 1142 57.850 49.060 32.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35004 ATOM 35000 OW SOL 1143 66.790 48.320 24.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35005 ATOM 35001 HW1 SOL 1143 65.960 48.060 23.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35006 ATOM 35002 HW2 SOL 1143 67.250 47.490 24.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35007 ATOM 35003 OW SOL 1144 64.530 39.680 26.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35008 ATOM 35004 HW1 SOL 1144 65.220 38.980 26.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35009 ATOM 35005 HW2 SOL 1144 64.320 39.680 27.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35010 ATOM 35006 OW SOL 1145 60.510 50.940 22.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35011 ATOM 35007 HW1 SOL 1145 61.080 50.210 23.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35012 ATOM 35008 HW2 SOL 1145 59.540 50.690 22.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35013 ATOM 35009 OW SOL 1146 53.850 51.930 21.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35014 ATOM 35010 HW1 SOL 1146 54.270 51.270 21.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35015 ATOM 35011 HW2 SOL 1146 54.560 52.490 22.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35016 ATOM 35012 OW SOL 1147 57.760 46.530 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35017 ATOM 35013 HW1 SOL 1147 56.980 46.140 35.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35018 ATOM 35014 HW2 SOL 1147 58.420 45.810 34.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35019 ATOM 35015 OW SOL 1148 61.990 38.580 33.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35020 ATOM 35016 HW1 SOL 1148 62.790 38.500 32.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35021 ATOM 35017 HW2 SOL 1148 62.140 38.040 33.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35022 ATOM 35018 OW SOL 1149 56.260 41.170 16.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35023 ATOM 35019 HW1 SOL 1149 55.270 41.170 16.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35024 ATOM 35020 HW2 SOL 1149 56.590 42.120 16.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35025 ATOM 35021 OW SOL 1150 68.560 45.640 31.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35026 ATOM 35022 HW1 SOL 1150 67.680 46.030 30.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35027 ATOM 35023 HW2 SOL 1150 69.270 45.980 30.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35028 ATOM 35024 OW SOL 1151 54.930 38.590 19.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35029 ATOM 35025 HW1 SOL 1151 54.400 37.990 18.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35030 ATOM 35026 HW2 SOL 1151 55.830 38.740 19.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35031 ATOM 35027 OW SOL 1152 66.760 50.350 18.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35032 ATOM 35028 HW1 SOL 1152 65.950 49.890 18.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35033 ATOM 35029 HW2 SOL 1152 66.600 50.600 19.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35034 ATOM 35030 OW SOL 1153 62.180 43.840 32.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35035 ATOM 35031 HW1 SOL 1153 62.530 44.370 32.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35036 ATOM 35032 HW2 SOL 1153 61.840 42.960 32.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35037 ATOM 35033 OW SOL 1154 69.110 55.740 30.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35038 ATOM 35034 HW1 SOL 1154 68.440 55.240 29.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35039 ATOM 35035 HW2 SOL 1154 69.990 55.250 30.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35040 ATOM 35036 OW SOL 1155 62.380 43.950 35.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35041 ATOM 35037 HW1 SOL 1155 63.090 44.240 36.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35042 ATOM 35038 HW2 SOL 1155 61.950 43.110 35.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35043 ATOM 35039 OW SOL 1156 70.640 48.090 35.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35044 ATOM 35040 HW1 SOL 1156 70.370 47.800 36.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35045 ATOM 35041 HW2 SOL 1156 69.870 47.950 35.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35046 ATOM 35042 OW SOL 1157 59.230 54.660 35.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35047 ATOM 35043 HW1 SOL 1157 58.330 54.870 35.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35048 ATOM 35044 HW2 SOL 1157 59.150 53.910 36.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35049 ATOM 35045 OW SOL 1158 70.660 46.200 29.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35050 ATOM 35046 HW1 SOL 1158 71.010 45.300 29.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35051 ATOM 35047 HW2 SOL 1158 69.820 46.100 28.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35052 ATOM 35048 OW SOL 1159 68.370 40.070 22.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35053 ATOM 35049 HW1 SOL 1159 68.660 40.340 21.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35054 ATOM 35050 HW2 SOL 1159 69.050 39.460 22.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35055 ATOM 35051 OW SOL 1160 58.280 45.590 24.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35056 ATOM 35052 HW1 SOL 1160 59.130 45.360 24.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35057 ATOM 35053 HW2 SOL 1160 58.230 45.100 23.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35058 ATOM 35054 OW SOL 1161 71.100 47.190 32.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35059 ATOM 35055 HW1 SOL 1161 71.710 47.450 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35060 ATOM 35056 HW2 SOL 1161 71.420 47.610 31.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35061 ATOM 35057 OW SOL 1162 62.770 49.730 19.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35062 ATOM 35058 HW1 SOL 1162 63.000 49.520 20.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35063 ATOM 35059 HW2 SOL 1162 62.790 50.720 19.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35064 ATOM 35060 OW SOL 1163 61.580 51.930 29.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35065 ATOM 35061 HW1 SOL 1163 61.070 51.510 28.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35066 ATOM 35062 HW2 SOL 1163 62.460 52.260 28.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35067 ATOM 35063 OW SOL 1164 64.280 46.020 26.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35068 ATOM 35064 HW1 SOL 1164 64.700 45.140 26.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35069 ATOM 35065 HW2 SOL 1164 64.330 46.630 27.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35070 ATOM 35066 OW SOL 1165 67.710 46.070 18.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35071 ATOM 35067 HW1 SOL 1165 67.030 46.050 18.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35072 ATOM 35068 HW2 SOL 1165 68.350 45.310 18.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35073 ATOM 35069 OW SOL 1166 72.290 53.530 23.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35074 ATOM 35070 HW1 SOL 1166 71.780 54.310 23.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35075 ATOM 35071 HW2 SOL 1166 71.960 53.350 22.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35076 ATOM 35072 OW SOL 1167 57.510 48.770 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35077 ATOM 35073 HW1 SOL 1167 57.660 48.010 35.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35078 ATOM 35074 HW2 SOL 1167 57.090 48.410 37.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35079 ATOM 35075 OW SOL 1168 56.430 50.640 24.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35080 ATOM 35076 HW1 SOL 1168 56.380 49.800 24.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35081 ATOM 35077 HW2 SOL 1168 56.590 50.410 23.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35082 ATOM 35078 OW SOL 1169 62.050 49.670 33.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35083 ATOM 35079 HW1 SOL 1169 61.150 49.240 33.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35084 ATOM 35080 HW2 SOL 1169 62.450 49.730 34.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35085 ATOM 35081 OW SOL 1170 71.480 36.640 30.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35086 ATOM 35082 HW1 SOL 1170 72.470 36.720 30.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35087 ATOM 35083 HW2 SOL 1170 71.240 35.680 31.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35088 ATOM 35084 OW SOL 1171 60.230 41.320 21.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35089 ATOM 35085 HW1 SOL 1171 60.430 40.610 22.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35090 ATOM 35086 HW2 SOL 1171 61.050 41.470 21.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35091 ATOM 35087 OW SOL 1172 58.730 42.570 30.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35092 ATOM 35088 HW1 SOL 1172 58.280 42.800 29.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35093 ATOM 35089 HW2 SOL 1172 59.610 42.140 30.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35094 ATOM 35090 OW SOL 1173 60.340 52.920 24.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35095 ATOM 35091 HW1 SOL 1173 60.900 53.670 25.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35096 ATOM 35092 HW2 SOL 1173 60.660 52.630 23.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35097 ATOM 35093 OW SOL 1174 69.030 37.280 29.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35098 ATOM 35094 HW1 SOL 1174 69.970 37.200 30.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35099 ATOM 35095 HW2 SOL 1174 68.400 37.340 30.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35100 ATOM 35096 OW SOL 1175 63.180 37.490 28.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35101 ATOM 35097 HW1 SOL 1175 62.730 37.310 27.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35102 ATOM 35098 HW2 SOL 1175 63.900 36.810 28.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35103 ATOM 35099 OW SOL 1176 63.020 49.550 23.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35104 ATOM 35100 HW1 SOL 1176 63.300 48.600 23.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35105 ATOM 35101 HW2 SOL 1176 63.800 50.090 23.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35106 ATOM 35102 OW SOL 1177 59.960 53.070 30.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35107 ATOM 35103 HW1 SOL 1177 60.450 53.310 31.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35108 ATOM 35104 HW2 SOL 1177 60.600 52.750 30.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35109 ATOM 35105 OW SOL 1178 69.220 36.050 19.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35110 ATOM 35106 HW1 SOL 1178 69.850 35.310 19.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35111 ATOM 35107 HW2 SOL 1178 68.700 35.830 20.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35112 ATOM 35108 OW SOL 1179 69.360 41.690 25.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35113 ATOM 35109 HW1 SOL 1179 68.490 41.950 25.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35114 ATOM 35110 HW2 SOL 1179 69.220 40.880 26.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35115 ATOM 35111 OW SOL 1180 70.970 38.990 27.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35116 ATOM 35112 HW1 SOL 1180 71.190 38.020 27.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35117 ATOM 35113 HW2 SOL 1180 70.000 39.140 27.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35118 ATOM 35114 OW SOL 1181 55.950 45.360 20.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35119 ATOM 35115 HW1 SOL 1181 55.940 45.350 19.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35120 ATOM 35116 HW2 SOL 1181 55.450 44.570 21.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35121 ATOM 35117 OW SOL 1182 64.470 52.880 20.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35122 ATOM 35118 HW1 SOL 1182 63.770 52.490 20.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35123 ATOM 35119 HW2 SOL 1182 64.280 53.850 21.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35124 ATOM 35120 OW SOL 1183 57.010 43.760 38.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35125 ATOM 35121 HW1 SOL 1183 56.080 43.380 38.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35126 ATOM 35122 HW2 SOL 1183 57.390 43.860 37.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35127 ATOM 35123 OW SOL 1184 56.620 40.380 46.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35128 ATOM 35124 HW1 SOL 1184 56.930 40.380 47.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35129 ATOM 35125 HW2 SOL 1184 55.770 39.870 46.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35130 ATOM 35126 OW SOL 1185 58.400 38.000 42.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35131 ATOM 35127 HW1 SOL 1185 58.270 38.820 42.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35132 ATOM 35128 HW2 SOL 1185 59.060 37.400 42.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35133 ATOM 35129 OW SOL 1186 61.640 48.320 48.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35134 ATOM 35130 HW1 SOL 1186 60.720 48.280 49.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35135 ATOM 35131 HW2 SOL 1186 61.570 48.370 47.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35136 ATOM 35132 OW SOL 1187 70.770 50.920 42.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35137 ATOM 35133 HW1 SOL 1187 69.940 50.860 42.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35138 ATOM 35134 HW2 SOL 1187 70.550 51.350 41.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35139 ATOM 35135 OW SOL 1188 66.230 44.340 41.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35140 ATOM 35136 HW1 SOL 1188 67.220 44.450 41.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35141 ATOM 35137 HW2 SOL 1188 65.950 44.060 42.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35142 ATOM 35138 OW SOL 1189 71.690 42.190 37.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35143 ATOM 35139 HW1 SOL 1189 71.070 42.440 36.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35144 ATOM 35140 HW2 SOL 1189 71.490 42.750 37.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35145 ATOM 35141 OW SOL 1190 64.950 47.720 48.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35146 ATOM 35142 HW1 SOL 1190 64.020 47.910 48.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35147 ATOM 35143 HW2 SOL 1190 65.120 48.230 47.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35148 ATOM 35144 OW SOL 1191 62.450 44.190 52.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35149 ATOM 35145 HW1 SOL 1191 62.810 43.760 53.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35150 ATOM 35146 HW2 SOL 1191 63.200 44.550 52.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35151 ATOM 35147 OW SOL 1192 61.670 45.970 43.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35152 ATOM 35148 HW1 SOL 1192 62.590 46.040 44.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35153 ATOM 35149 HW2 SOL 1192 61.050 46.590 44.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35154 ATOM 35150 OW SOL 1193 62.310 47.480 54.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35155 ATOM 35151 HW1 SOL 1193 63.030 48.140 54.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35156 ATOM 35152 HW2 SOL 1193 61.870 47.760 53.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35157 ATOM 35153 OW SOL 1194 56.920 49.240 48.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35158 ATOM 35154 HW1 SOL 1194 56.300 48.950 48.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35159 ATOM 35155 HW2 SOL 1194 56.910 50.230 47.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35160 ATOM 35156 OW SOL 1195 71.570 51.420 51.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35161 ATOM 35157 HW1 SOL 1195 72.170 51.830 52.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35162 ATOM 35158 HW2 SOL 1195 71.370 52.090 50.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35163 ATOM 35159 OW SOL 1196 59.620 39.160 50.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35164 ATOM 35160 HW1 SOL 1196 60.410 38.670 51.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35165 ATOM 35161 HW2 SOL 1196 58.900 39.180 51.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35166 ATOM 35162 OW SOL 1197 58.390 53.940 41.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35167 ATOM 35163 HW1 SOL 1197 58.480 54.500 41.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35168 ATOM 35164 HW2 SOL 1197 58.930 54.340 40.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35169 ATOM 35165 OW SOL 1198 65.500 50.170 54.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35170 ATOM 35166 HW1 SOL 1198 65.980 49.520 53.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35171 ATOM 35167 HW2 SOL 1198 65.130 49.690 54.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35172 ATOM 35168 OW SOL 1199 56.060 51.850 40.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35173 ATOM 35169 HW1 SOL 1199 56.430 52.690 41.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35174 ATOM 35170 HW2 SOL 1199 55.670 51.280 41.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35175 ATOM 35171 OW SOL 1200 57.560 47.320 46.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35176 ATOM 35172 HW1 SOL 1200 58.040 46.630 46.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35177 ATOM 35173 HW2 SOL 1200 57.260 48.050 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35178 ATOM 35174 OW SOL 1201 60.930 53.900 50.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35179 ATOM 35175 HW1 SOL 1201 60.700 53.710 51.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35180 ATOM 35176 HW2 SOL 1201 61.920 53.980 50.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35181 ATOM 35177 OW SOL 1202 60.640 46.460 39.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35182 ATOM 35178 HW1 SOL 1202 60.950 47.020 38.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35183 ATOM 35179 HW2 SOL 1202 61.330 46.480 40.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35184 ATOM 35180 OW SOL 1203 69.790 35.700 52.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35185 ATOM 35181 HW1 SOL 1203 70.480 36.090 51.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35186 ATOM 35182 HW2 SOL 1203 69.680 36.300 53.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35187 ATOM 35183 OW SOL 1204 56.800 43.260 42.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35188 ATOM 35184 HW1 SOL 1204 56.130 43.120 43.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35189 ATOM 35185 HW2 SOL 1204 56.910 44.240 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35190 ATOM 35186 OW SOL 1205 55.090 52.770 38.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35191 ATOM 35187 HW1 SOL 1205 55.050 52.660 38.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35192 ATOM 35188 HW2 SOL 1205 54.540 52.060 37.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35193 ATOM 35189 OW SOL 1206 72.330 49.070 43.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35194 ATOM 35190 HW1 SOL 1206 71.720 49.630 43.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35195 ATOM 35191 HW2 SOL 1206 72.900 48.500 43.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35196 ATOM 35192 OW SOL 1207 56.310 44.570 53.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35197 ATOM 35193 HW1 SOL 1207 56.700 45.300 53.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35198 ATOM 35194 HW2 SOL 1207 55.560 44.930 52.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35199 ATOM 35195 OW SOL 1208 60.150 51.180 45.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35200 ATOM 35196 HW1 SOL 1208 60.520 50.310 45.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35201 ATOM 35197 HW2 SOL 1208 59.860 51.110 44.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35202 ATOM 35198 OW SOL 1209 66.870 48.540 52.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35203 ATOM 35199 HW1 SOL 1209 66.750 48.090 51.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35204 ATOM 35200 HW2 SOL 1209 67.650 49.160 52.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35205 ATOM 35201 OW SOL 1210 64.070 37.470 41.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35206 ATOM 35202 HW1 SOL 1210 64.900 37.650 41.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35207 ATOM 35203 HW2 SOL 1210 63.440 38.240 41.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35208 ATOM 35204 OW SOL 1211 57.970 45.540 49.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35209 ATOM 35205 HW1 SOL 1211 58.210 44.680 50.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35210 ATOM 35206 HW2 SOL 1211 58.020 45.420 48.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35211 ATOM 35207 OW SOL 1212 70.620 44.620 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35212 ATOM 35208 HW1 SOL 1212 69.820 44.010 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35213 ATOM 35209 HW2 SOL 1212 71.010 44.660 39.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35214 ATOM 35210 OW SOL 1213 69.230 56.050 49.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35215 ATOM 35211 HW1 SOL 1213 68.540 56.780 49.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35216 ATOM 35212 HW2 SOL 1213 69.700 55.940 48.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35217 ATOM 35213 OW SOL 1214 58.240 40.460 55.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35218 ATOM 35214 HW1 SOL 1214 58.320 41.010 55.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35219 ATOM 35215 HW2 SOL 1214 57.280 40.420 56.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35220 ATOM 35216 OW SOL 1215 69.200 50.380 44.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35221 ATOM 35217 HW1 SOL 1215 69.430 50.950 45.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35222 ATOM 35218 HW2 SOL 1215 68.610 49.630 45.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35223 ATOM 35219 OW SOL 1216 70.430 53.310 43.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35224 ATOM 35220 HW1 SOL 1216 70.520 52.320 43.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35225 ATOM 35221 HW2 SOL 1216 70.460 53.770 42.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35226 ATOM 35222 OW SOL 1217 60.560 43.230 40.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35227 ATOM 35223 HW1 SOL 1217 60.420 43.970 39.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35228 ATOM 35224 HW2 SOL 1217 59.770 42.610 40.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35229 ATOM 35225 OW SOL 1218 68.370 39.920 44.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35230 ATOM 35226 HW1 SOL 1218 67.630 39.500 45.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35231 ATOM 35227 HW2 SOL 1218 69.020 40.350 45.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35232 ATOM 35228 OW SOL 1219 70.310 53.600 38.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35233 ATOM 35229 HW1 SOL 1219 71.040 52.920 38.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35234 ATOM 35230 HW2 SOL 1219 70.120 53.970 37.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35235 ATOM 35231 OW SOL 1220 63.700 41.210 50.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35236 ATOM 35232 HW1 SOL 1220 63.480 40.950 51.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35237 ATOM 35233 HW2 SOL 1220 63.620 40.400 50.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35238 ATOM 35234 OW SOL 1221 69.810 42.660 54.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35239 ATOM 35235 HW1 SOL 1221 69.740 42.490 55.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35240 ATOM 35236 HW2 SOL 1221 70.710 43.030 54.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35241 ATOM 35237 OW SOL 1222 64.500 45.810 51.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35242 ATOM 35238 HW1 SOL 1222 65.500 45.830 51.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35243 ATOM 35239 HW2 SOL 1222 64.160 46.750 51.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35244 ATOM 35240 OW SOL 1223 66.240 39.720 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35245 ATOM 35241 HW1 SOL 1223 65.680 40.060 48.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35246 ATOM 35242 HW2 SOL 1223 66.800 38.950 48.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35247 ATOM 35243 OW SOL 1224 65.480 43.060 39.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35248 ATOM 35244 HW1 SOL 1224 65.910 43.140 40.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35249 ATOM 35245 HW2 SOL 1224 64.720 42.410 39.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35250 ATOM 35246 OW SOL 1225 55.160 44.450 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35251 ATOM 35247 HW1 SOL 1225 55.980 44.280 46.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35252 ATOM 35248 HW2 SOL 1225 55.430 44.660 47.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35253 ATOM 35249 OW SOL 1226 55.410 54.930 55.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35254 ATOM 35250 HW1 SOL 1226 56.220 54.440 55.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35255 ATOM 35251 HW2 SOL 1226 54.870 55.240 56.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35256 ATOM 35252 OW SOL 1227 66.300 38.250 37.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35257 ATOM 35253 HW1 SOL 1227 66.310 39.240 37.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35258 ATOM 35254 HW2 SOL 1227 65.740 37.810 38.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35259 ATOM 35255 OW SOL 1228 0.240 44.450 55.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35260 ATOM 35256 HW1 SOL 1228 0.260 45.140 54.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35261 ATOM 35257 HW2 SOL 1228 0.280 43.540 55.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35262 ATOM 35258 OW SOL 1229 67.900 47.690 40.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35263 ATOM 35259 HW1 SOL 1229 67.630 47.420 39.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35264 ATOM 35260 HW2 SOL 1229 67.860 48.690 40.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35265 ATOM 35261 OW SOL 1230 64.660 37.870 47.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35266 ATOM 35262 HW1 SOL 1230 64.320 38.780 47.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35267 ATOM 35263 HW2 SOL 1230 65.370 37.940 46.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35268 ATOM 35264 OW SOL 1231 64.540 51.400 41.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35269 ATOM 35265 HW1 SOL 1231 64.820 52.040 40.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35270 ATOM 35266 HW2 SOL 1231 63.800 51.810 42.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35271 ATOM 35267 OW SOL 1232 57.920 55.160 47.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35272 ATOM 35268 HW1 SOL 1232 58.350 54.270 47.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35273 ATOM 35269 HW2 SOL 1232 58.580 55.790 47.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35274 ATOM 35270 OW SOL 1233 71.850 48.810 46.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35275 ATOM 35271 HW1 SOL 1233 71.770 48.990 45.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35276 ATOM 35272 HW2 SOL 1233 71.560 47.870 46.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35277 ATOM 35273 OW SOL 1234 70.430 53.540 49.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35278 ATOM 35274 HW1 SOL 1234 70.110 54.470 49.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35279 ATOM 35275 HW2 SOL 1234 69.690 52.890 49.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35280 ATOM 35276 OW SOL 1235 57.940 45.800 39.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35281 ATOM 35277 HW1 SOL 1235 58.860 46.110 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35282 ATOM 35278 HW2 SOL 1235 57.680 45.060 38.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35283 ATOM 35279 OW SOL 1236 70.100 46.340 44.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35284 ATOM 35280 HW1 SOL 1236 70.550 45.450 44.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35285 ATOM 35281 HW2 SOL 1236 70.780 47.070 44.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35286 ATOM 35282 OW SOL 1237 59.470 49.100 53.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35287 ATOM 35283 HW1 SOL 1237 58.870 48.480 53.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35288 ATOM 35284 HW2 SOL 1237 58.960 49.920 54.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35289 ATOM 35285 OW SOL 1238 65.680 53.730 37.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35290 ATOM 35286 HW1 SOL 1238 65.650 53.690 38.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35291 ATOM 35287 HW2 SOL 1238 64.830 54.130 37.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35292 ATOM 35288 OW SOL 1239 57.700 38.690 53.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35293 ATOM 35289 HW1 SOL 1239 57.770 38.640 54.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35294 ATOM 35290 HW2 SOL 1239 57.060 37.990 52.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35295 ATOM 35291 OW SOL 1240 60.140 55.360 39.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35296 ATOM 35292 HW1 SOL 1240 60.460 55.880 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35297 ATOM 35293 HW2 SOL 1240 60.880 54.790 39.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35298 ATOM 35294 OW SOL 1241 72.050 38.230 43.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35299 ATOM 35295 HW1 SOL 1241 71.880 39.130 43.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35300 ATOM 35296 HW2 SOL 1241 72.830 37.800 43.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35301 ATOM 35297 OW SOL 1242 55.670 54.710 50.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35302 ATOM 35298 HW1 SOL 1242 56.160 53.880 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35303 ATOM 35299 HW2 SOL 1242 56.300 55.490 50.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35304 ATOM 35300 OW SOL 1243 64.440 52.280 45.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35305 ATOM 35301 HW1 SOL 1243 65.360 52.290 45.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35306 ATOM 35302 HW2 SOL 1243 63.780 52.260 44.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35307 ATOM 35303 OW SOL 1244 57.850 42.130 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35308 ATOM 35304 HW1 SOL 1244 57.510 42.750 39.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35309 ATOM 35305 HW2 SOL 1244 57.510 42.430 41.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35310 ATOM 35306 OW SOL 1245 69.610 36.960 55.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35311 ATOM 35307 HW1 SOL 1245 69.870 37.710 55.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35312 ATOM 35308 HW2 SOL 1245 68.680 37.110 54.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35313 ATOM 35309 OW SOL 1246 62.530 37.070 38.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35314 ATOM 35310 HW1 SOL 1246 62.840 36.120 38.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35315 ATOM 35311 HW2 SOL 1246 61.680 37.090 37.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35316 ATOM 35312 OW SOL 1247 63.080 40.490 53.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35317 ATOM 35313 HW1 SOL 1247 62.270 40.010 53.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35318 ATOM 35314 HW2 SOL 1247 63.030 41.450 53.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35319 ATOM 35315 OW SOL 1248 62.270 52.360 48.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35320 ATOM 35316 HW1 SOL 1248 62.680 51.810 47.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35321 ATOM 35317 HW2 SOL 1248 62.370 51.900 49.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35322 ATOM 35318 OW SOL 1249 67.670 43.510 51.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35323 ATOM 35319 HW1 SOL 1249 67.500 43.380 52.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35324 ATOM 35320 HW2 SOL 1249 68.030 44.430 50.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35325 ATOM 35321 OW SOL 1250 61.960 48.650 45.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35326 ATOM 35322 HW1 SOL 1250 62.720 48.970 45.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35327 ATOM 35323 HW2 SOL 1250 61.160 48.480 45.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35328 ATOM 35324 OW SOL 1251 65.070 40.230 45.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35329 ATOM 35325 HW1 SOL 1251 64.390 40.230 44.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35330 ATOM 35326 HW2 SOL 1251 65.560 39.360 45.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35331 ATOM 35327 OW SOL 1252 60.430 37.300 40.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35332 ATOM 35328 HW1 SOL 1252 60.480 37.500 41.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35333 ATOM 35329 HW2 SOL 1252 61.360 37.300 39.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35334 ATOM 35330 OW SOL 1253 69.600 47.500 38.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35335 ATOM 35331 HW1 SOL 1253 69.680 46.540 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35336 ATOM 35332 HW2 SOL 1253 68.650 47.800 38.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35337 ATOM 35333 OW SOL 1254 57.010 36.930 37.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35338 ATOM 35334 HW1 SOL 1254 57.680 37.650 37.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35339 ATOM 35335 HW2 SOL 1254 57.460 36.140 38.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35340 ATOM 35336 OW SOL 1255 65.670 40.030 40.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35341 ATOM 35337 HW1 SOL 1255 65.640 40.570 39.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35342 ATOM 35338 HW2 SOL 1255 66.290 40.460 41.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35343 ATOM 35339 OW SOL 1256 65.420 43.280 49.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35344 ATOM 35340 HW1 SOL 1256 64.790 42.690 49.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35345 ATOM 35341 HW2 SOL 1256 66.200 43.490 50.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35346 ATOM 35342 OW SOL 1257 67.160 52.540 44.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35347 ATOM 35343 HW1 SOL 1257 67.390 53.210 43.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35348 ATOM 35344 HW2 SOL 1257 67.600 51.670 44.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35349 ATOM 35345 OW SOL 1258 59.720 47.940 44.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35350 ATOM 35346 HW1 SOL 1258 58.860 47.730 45.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35351 ATOM 35347 HW2 SOL 1258 59.610 47.830 43.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35352 ATOM 35348 OW SOL 1259 67.470 54.470 42.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35353 ATOM 35349 HW1 SOL 1259 68.280 54.680 42.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35354 ATOM 35350 HW2 SOL 1259 66.650 54.690 42.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35355 ATOM 35351 OW SOL 1260 64.580 42.220 34.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35356 ATOM 35352 HW1 SOL 1260 64.910 42.710 35.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35357 ATOM 35353 HW2 SOL 1260 63.600 42.010 34.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35358 ATOM 35354 OW SOL 1261 56.320 42.770 51.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35359 ATOM 35355 HW1 SOL 1261 57.220 42.650 50.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35360 ATOM 35356 HW2 SOL 1261 56.430 43.280 52.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35361 ATOM 35357 OW SOL 1262 60.540 39.640 48.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35362 ATOM 35358 HW1 SOL 1262 60.290 39.640 49.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35363 ATOM 35359 HW2 SOL 1262 60.150 38.830 47.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35364 ATOM 35360 OW SOL 1263 63.540 41.310 43.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35365 ATOM 35361 HW1 SOL 1263 63.140 42.230 43.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35366 ATOM 35362 HW2 SOL 1263 64.350 41.230 42.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35367 ATOM 35363 OW SOL 1264 65.630 36.550 43.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35368 ATOM 35364 HW1 SOL 1264 64.950 36.840 42.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35369 ATOM 35365 HW2 SOL 1264 65.860 35.590 43.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35370 ATOM 35366 OW SOL 1265 68.520 47.380 45.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35371 ATOM 35367 HW1 SOL 1265 67.550 47.470 45.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35372 ATOM 35368 HW2 SOL 1265 69.020 46.980 45.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35373 ATOM 35369 OW SOL 1266 67.320 42.820 46.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35374 ATOM 35370 HW1 SOL 1266 66.910 42.750 47.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35375 ATOM 35371 HW2 SOL 1266 68.240 42.410 46.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35376 ATOM 35372 OW SOL 1267 72.170 44.220 41.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35377 ATOM 35373 HW1 SOL 1267 71.850 44.060 41.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35378 ATOM 35374 HW2 SOL 1267 73.100 43.890 40.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35379 ATOM 35375 OW SOL 1268 60.370 51.130 38.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35380 ATOM 35376 HW1 SOL 1268 60.260 50.490 39.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35381 ATOM 35377 HW2 SOL 1268 59.550 51.100 38.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35382 ATOM 35378 OW SOL 1269 69.900 43.030 35.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35383 ATOM 35379 HW1 SOL 1269 69.580 42.250 34.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35384 ATOM 35380 HW2 SOL 1269 70.070 43.810 34.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35385 ATOM 35381 OW SOL 1270 61.660 39.890 38.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35386 ATOM 35382 HW1 SOL 1270 62.050 38.980 38.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35387 ATOM 35383 HW2 SOL 1270 60.770 39.830 38.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35388 ATOM 35384 OW SOL 1271 68.520 51.890 49.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35389 ATOM 35385 HW1 SOL 1271 67.530 52.000 49.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35390 ATOM 35386 HW2 SOL 1271 68.710 50.960 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35391 ATOM 35387 OW SOL 1272 0.970 52.470 53.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35392 ATOM 35388 HW1 SOL 1272 0.650 53.410 53.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35393 ATOM 35389 HW2 SOL 1272 1.380 52.210 54.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35394 ATOM 35390 OW SOL 1273 65.460 49.660 46.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35395 ATOM 35391 HW1 SOL 1273 65.090 50.590 46.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35396 ATOM 35392 HW2 SOL 1273 65.560 49.310 45.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35397 ATOM 35393 OW SOL 1274 69.150 49.250 48.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35398 ATOM 35394 HW1 SOL 1274 68.770 48.940 47.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35399 ATOM 35395 HW2 SOL 1274 69.590 48.490 48.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35400 ATOM 35396 OW SOL 1275 64.520 38.450 51.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35401 ATOM 35397 HW1 SOL 1275 64.990 38.830 50.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35402 ATOM 35398 HW2 SOL 1275 65.000 38.720 51.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35403 ATOM 35399 OW SOL 1276 64.700 46.050 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35404 ATOM 35400 HW1 SOL 1276 63.730 46.240 54.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35405 ATOM 35401 HW2 SOL 1276 64.890 46.000 53.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35406 ATOM 35402 OW SOL 1277 62.380 46.980 41.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35407 ATOM 35403 HW1 SOL 1277 62.140 46.540 42.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35408 ATOM 35404 HW2 SOL 1277 63.350 46.830 41.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35409 ATOM 35405 OW SOL 1278 58.790 42.880 50.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35410 ATOM 35406 HW1 SOL 1278 59.730 43.200 50.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35411 ATOM 35407 HW2 SOL 1278 58.590 42.690 49.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35412 ATOM 35408 OW SOL 1279 68.160 41.490 49.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35413 ATOM 35409 HW1 SOL 1279 68.020 42.110 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35414 ATOM 35410 HW2 SOL 1279 67.500 40.750 49.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35415 ATOM 35411 OW SOL 1280 55.300 50.930 51.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35416 ATOM 35412 HW1 SOL 1280 54.920 51.630 51.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35417 ATOM 35413 HW2 SOL 1280 55.830 51.360 50.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35418 ATOM 35414 OW SOL 1281 58.860 47.760 42.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35419 ATOM 35415 HW1 SOL 1281 58.690 48.740 41.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35420 ATOM 35416 HW2 SOL 1281 58.980 47.320 41.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35421 ATOM 35417 OW SOL 1282 60.090 42.690 44.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35422 ATOM 35418 HW1 SOL 1282 60.300 43.100 43.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35423 ATOM 35419 HW2 SOL 1282 60.910 42.710 45.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35424 ATOM 35420 OW SOL 1283 66.960 50.280 40.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35425 ATOM 35421 HW1 SOL 1283 67.520 51.040 40.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35426 ATOM 35422 HW2 SOL 1283 66.200 50.630 41.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35427 ATOM 35423 OW SOL 1284 70.250 51.950 46.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35428 ATOM 35424 HW1 SOL 1284 70.880 51.210 46.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35429 ATOM 35425 HW2 SOL 1284 69.920 52.380 47.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35430 ATOM 35426 OW SOL 1285 69.510 42.870 41.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35431 ATOM 35427 HW1 SOL 1285 69.190 43.810 41.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35432 ATOM 35428 HW2 SOL 1285 70.240 42.830 41.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35433 ATOM 35429 OW SOL 1286 57.310 52.650 49.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35434 ATOM 35430 HW1 SOL 1286 58.020 52.920 49.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35435 ATOM 35431 HW2 SOL 1286 57.670 52.750 50.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35436 ATOM 35432 OW SOL 1287 59.820 44.530 53.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35437 ATOM 35433 HW1 SOL 1287 60.800 44.350 52.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35438 ATOM 35434 HW2 SOL 1287 59.300 43.690 52.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35439 ATOM 35435 OW SOL 1288 72.120 46.050 53.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35440 ATOM 35436 HW1 SOL 1288 71.330 46.500 52.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35441 ATOM 35437 HW2 SOL 1288 72.740 45.730 52.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35442 ATOM 35438 OW SOL 1289 66.220 38.700 56.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35443 ATOM 35439 HW1 SOL 1289 66.320 39.370 56.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35444 ATOM 35440 HW2 SOL 1289 66.890 37.980 56.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35445 ATOM 35441 OW SOL 1290 60.640 39.530 54.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35446 ATOM 35442 HW1 SOL 1290 60.550 38.570 54.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35447 ATOM 35443 HW2 SOL 1290 59.910 39.760 55.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35448 ATOM 35444 OW SOL 1291 61.250 45.130 47.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35449 ATOM 35445 HW1 SOL 1291 61.650 46.030 48.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35450 ATOM 35446 HW2 SOL 1291 61.430 44.520 48.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35451 ATOM 35447 OW SOL 1292 68.190 45.410 47.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35452 ATOM 35448 HW1 SOL 1292 68.600 45.990 47.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35453 ATOM 35449 HW2 SOL 1292 68.000 44.500 47.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35454 ATOM 35450 OW SOL 1293 66.770 40.950 37.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35455 ATOM 35451 HW1 SOL 1293 67.630 40.890 37.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35456 ATOM 35452 HW2 SOL 1293 66.420 41.890 37.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35457 ATOM 35453 OW SOL 1294 57.510 38.550 49.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35458 ATOM 35454 HW1 SOL 1294 58.240 38.930 49.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35459 ATOM 35455 HW2 SOL 1294 57.760 37.640 48.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35460 ATOM 35456 OW SOL 1295 54.690 48.960 49.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35461 ATOM 35457 HW1 SOL 1295 53.990 48.330 49.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35462 ATOM 35458 HW2 SOL 1295 54.990 49.550 50.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35463 ATOM 35459 OW SOL 1296 62.540 43.400 46.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35464 ATOM 35460 HW1 SOL 1296 63.480 43.480 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35465 ATOM 35461 HW2 SOL 1296 61.960 44.090 46.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35466 ATOM 35462 OW SOL 1297 57.350 36.880 45.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35467 ATOM 35463 HW1 SOL 1297 57.800 37.440 44.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35468 ATOM 35464 HW2 SOL 1297 57.850 36.930 45.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35469 ATOM 35465 OW SOL 1298 69.930 40.620 39.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35470 ATOM 35466 HW1 SOL 1298 70.820 40.240 39.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35471 ATOM 35467 HW2 SOL 1298 69.210 40.060 39.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35472 ATOM 35468 OW SOL 1299 65.670 43.280 44.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35473 ATOM 35469 HW1 SOL 1299 66.230 43.120 45.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35474 ATOM 35470 HW2 SOL 1299 64.890 42.660 44.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35475 ATOM 35471 OW SOL 1300 66.440 52.620 52.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35476 ATOM 35472 HW1 SOL 1300 66.300 52.610 51.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35477 ATOM 35473 HW2 SOL 1300 66.400 51.680 53.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35478 ATOM 35474 OW SOL 1301 59.860 46.170 55.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35479 ATOM 35475 HW1 SOL 1301 60.780 46.550 55.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35480 ATOM 35476 HW2 SOL 1301 59.850 45.480 54.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35481 ATOM 35477 OW SOL 1302 69.340 40.200 36.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35482 ATOM 35478 HW1 SOL 1302 69.300 39.270 37.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35483 ATOM 35479 HW2 SOL 1302 69.890 40.780 37.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35484 ATOM 35480 OW SOL 1303 67.100 44.720 36.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35485 ATOM 35481 HW1 SOL 1303 67.860 44.480 36.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35486 ATOM 35482 HW2 SOL 1303 67.430 44.880 35.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35487 ATOM 35483 OW SOL 1304 63.870 49.360 43.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35488 ATOM 35484 HW1 SOL 1304 64.280 48.530 43.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35489 ATOM 35485 HW2 SOL 1304 63.790 50.040 42.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35490 ATOM 35486 OW SOL 1305 58.350 44.740 47.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35491 ATOM 35487 HW1 SOL 1305 59.320 44.860 47.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35492 ATOM 35488 HW2 SOL 1305 58.020 43.910 46.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35493 ATOM 35489 OW SOL 1306 57.200 43.140 45.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35494 ATOM 35490 HW1 SOL 1306 57.310 42.280 45.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35495 ATOM 35491 HW2 SOL 1306 57.870 43.180 44.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35496 ATOM 35492 OW SOL 1307 67.020 40.790 54.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35497 ATOM 35493 HW1 SOL 1307 66.660 41.550 55.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35498 ATOM 35494 HW2 SOL 1307 67.910 41.050 54.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35499 ATOM 35495 OW SOL 1308 65.240 39.080 53.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35500 ATOM 35496 HW1 SOL 1308 66.030 39.610 54.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35501 ATOM 35497 HW2 SOL 1308 64.400 39.620 53.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35502 ATOM 35498 OW SOL 1309 56.360 48.060 38.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35503 ATOM 35499 HW1 SOL 1309 55.540 48.410 38.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35504 ATOM 35500 HW2 SOL 1309 56.530 47.120 38.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35505 ATOM 35501 OW SOL 1310 55.430 53.760 47.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35506 ATOM 35502 HW1 SOL 1310 55.270 52.970 46.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35507 ATOM 35503 HW2 SOL 1310 56.410 53.930 47.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35508 ATOM 35504 OW SOL 1311 60.470 53.990 45.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35509 ATOM 35505 HW1 SOL 1311 61.130 54.380 45.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35510 ATOM 35506 HW2 SOL 1311 60.460 53.000 45.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35511 ATOM 35507 OW SOL 1312 64.720 45.300 47.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35512 ATOM 35508 HW1 SOL 1312 64.830 44.620 48.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35513 ATOM 35509 HW2 SOL 1312 64.850 46.220 48.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35514 ATOM 35510 OW SOL 1313 55.280 44.890 49.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35515 ATOM 35511 HW1 SOL 1313 55.980 45.570 49.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35516 ATOM 35512 HW2 SOL 1313 55.510 44.030 49.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35517 ATOM 35513 OW SOL 1314 57.980 42.180 53.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35518 ATOM 35514 HW1 SOL 1314 57.710 41.610 52.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35519 ATOM 35515 HW2 SOL 1314 57.330 42.930 53.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35520 ATOM 35516 OW SOL 1315 69.500 46.970 52.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35521 ATOM 35517 HW1 SOL 1315 69.380 47.950 52.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35522 ATOM 35518 HW2 SOL 1315 68.930 46.630 51.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35523 ATOM 35519 OW SOL 1316 63.140 41.450 39.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35524 ATOM 35520 HW1 SOL 1316 62.840 40.720 39.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35525 ATOM 35521 HW2 SOL 1316 62.360 42.030 40.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35526 ATOM 35522 OW SOL 1317 57.740 53.150 52.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35527 ATOM 35523 HW1 SOL 1317 57.620 52.500 53.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35528 ATOM 35524 HW2 SOL 1317 58.550 53.720 52.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35529 ATOM 35525 OW SOL 1318 63.280 40.100 48.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35530 ATOM 35526 HW1 SOL 1318 62.300 39.930 48.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35531 ATOM 35527 HW2 SOL 1318 63.440 41.060 48.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35532 ATOM 35528 OW SOL 1319 65.820 53.070 49.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35533 ATOM 35529 HW1 SOL 1319 65.040 53.440 50.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35534 ATOM 35530 HW2 SOL 1319 65.860 53.490 49.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35535 ATOM 35531 OW SOL 1320 58.990 39.480 39.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35536 ATOM 35532 HW1 SOL 1320 58.310 40.030 39.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35537 ATOM 35533 HW2 SOL 1320 59.320 38.750 40.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35538 ATOM 35534 OW SOL 1321 57.850 47.280 52.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35539 ATOM 35535 HW1 SOL 1321 57.840 46.440 52.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35540 ATOM 35536 HW2 SOL 1321 58.060 47.060 51.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35541 ATOM 35537 OW SOL 1322 66.760 46.480 50.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35542 ATOM 35538 HW1 SOL 1322 67.300 45.930 49.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35543 ATOM 35539 HW2 SOL 1322 66.130 47.060 49.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35544 ATOM 35540 OW SOL 1323 68.260 43.170 38.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35545 ATOM 35541 HW1 SOL 1323 68.610 42.290 39.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35546 ATOM 35542 HW2 SOL 1323 67.270 43.220 39.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35547 ATOM 35543 OW SOL 1324 0.490 55.410 48.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35548 ATOM 35544 HW1 SOL 1324 1.230 54.760 48.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35549 ATOM 35545 HW2 SOL 1324 0.450 55.580 49.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35550 ATOM 35546 OW SOL 1325 68.250 54.800 46.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35551 ATOM 35547 HW1 SOL 1325 69.200 54.940 46.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35552 ATOM 35548 HW2 SOL 1325 68.190 53.960 45.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35553 ATOM 35549 OW SOL 1326 54.040 49.380 46.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35554 ATOM 35550 HW1 SOL 1326 54.170 49.160 47.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35555 ATOM 35551 HW2 SOL 1326 53.970 48.540 46.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35556 ATOM 35552 OW SOL 1327 62.810 51.500 54.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35557 ATOM 35553 HW1 SOL 1327 62.590 52.470 54.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35558 ATOM 35554 HW2 SOL 1327 63.760 51.380 55.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35559 ATOM 35555 OW SOL 1328 68.560 52.280 40.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35560 ATOM 35556 HW1 SOL 1328 69.240 52.660 39.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35561 ATOM 35557 HW2 SOL 1328 68.190 53.010 41.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35562 ATOM 35558 OW SOL 1329 58.720 53.580 55.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35563 ATOM 35559 HW1 SOL 1329 59.450 53.130 56.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35564 ATOM 35560 HW2 SOL 1329 57.830 53.270 56.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35565 ATOM 35561 OW SOL 1330 68.740 45.440 41.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35566 ATOM 35562 HW1 SOL 1330 69.300 45.720 42.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35567 ATOM 35563 HW2 SOL 1330 68.370 46.250 41.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35568 ATOM 35564 OW SOL 1331 62.320 50.490 50.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35569 ATOM 35565 HW1 SOL 1331 61.820 50.360 51.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35570 ATOM 35566 HW2 SOL 1331 62.250 49.650 49.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35571 ATOM 35567 OW SOL 1332 62.100 53.330 38.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35572 ATOM 35568 HW1 SOL 1332 62.500 53.610 37.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35573 ATOM 35569 HW2 SOL 1332 61.500 52.540 38.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35574 ATOM 35570 OW SOL 1333 58.250 39.820 44.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35575 ATOM 35571 HW1 SOL 1333 59.110 40.320 44.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35576 ATOM 35572 HW2 SOL 1333 57.580 40.190 44.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35577 ATOM 35573 OW SOL 1334 66.920 52.140 35.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35578 ATOM 35574 HW1 SOL 1334 66.760 51.160 35.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35579 ATOM 35575 HW2 SOL 1334 66.580 52.630 36.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35580 ATOM 35576 OW SOL 1335 63.690 48.370 51.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35581 ATOM 35577 HW1 SOL 1335 64.390 49.080 51.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35582 ATOM 35578 HW2 SOL 1335 62.790 48.780 51.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35583 ATOM 35579 OW SOL 1336 65.260 46.710 41.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35584 ATOM 35580 HW1 SOL 1336 66.020 47.320 40.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35585 ATOM 35581 HW2 SOL 1336 65.620 45.790 41.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35586 ATOM 35582 OW SOL 1337 69.860 53.350 35.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35587 ATOM 35583 HW1 SOL 1337 69.070 52.910 35.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35588 ATOM 35584 HW2 SOL 1337 70.460 52.650 36.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35589 ATOM 35585 OW SOL 1338 59.160 47.910 49.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35590 ATOM 35586 HW1 SOL 1338 58.510 48.590 48.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35591 ATOM 35587 HW2 SOL 1338 58.710 47.020 49.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35592 ATOM 35588 OW SOL 1339 66.110 47.390 43.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35593 ATOM 35589 HW1 SOL 1339 65.410 46.710 44.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35594 ATOM 35590 HW2 SOL 1339 66.150 47.530 42.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35595 ATOM 35591 OW SOL 1340 66.780 38.000 45.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35596 ATOM 35592 HW1 SOL 1340 66.350 37.540 44.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35597 ATOM 35593 HW2 SOL 1340 67.530 37.440 45.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35598 ATOM 35594 OW SOL 1341 60.070 51.300 42.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35599 ATOM 35595 HW1 SOL 1341 60.680 50.750 41.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35600 ATOM 35596 HW2 SOL 1341 59.520 51.900 41.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35601 ATOM 35597 OW SOL 1342 58.180 50.130 40.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35602 ATOM 35598 HW1 SOL 1342 57.810 49.460 39.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35603 ATOM 35599 HW2 SOL 1342 57.500 50.850 40.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35604 ATOM 35600 OW SOL 1343 57.120 46.300 55.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35605 ATOM 35601 HW1 SOL 1343 56.560 46.930 55.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35606 ATOM 35602 HW2 SOL 1343 58.060 46.310 55.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35607 ATOM 35603 OW SOL 1344 61.740 37.940 51.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35608 ATOM 35604 HW1 SOL 1344 62.700 38.070 51.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35609 ATOM 35605 HW2 SOL 1344 61.660 37.990 52.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35610 ATOM 35606 OW SOL 1345 56.330 39.980 35.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35611 ATOM 35607 HW1 SOL 1345 55.400 39.850 35.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35612 ATOM 35608 HW2 SOL 1345 56.300 40.450 34.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35613 ATOM 35609 OW SOL 1346 69.740 45.190 50.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35614 ATOM 35610 HW1 SOL 1346 69.340 44.890 49.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35615 ATOM 35611 HW2 SOL 1346 70.550 45.760 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35616 ATOM 35612 OW SOL 1347 53.160 35.900 42.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35617 ATOM 35613 HW1 SOL 1347 53.740 35.580 43.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35618 ATOM 35614 HW2 SOL 1347 52.350 35.330 42.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35619 ATOM 35615 OW SOL 1348 65.420 49.440 38.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35620 ATOM 35616 HW1 SOL 1348 64.490 49.790 38.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35621 ATOM 35617 HW2 SOL 1348 65.800 49.830 39.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35622 ATOM 35618 OW SOL 1349 61.740 43.080 50.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35623 ATOM 35619 HW1 SOL 1349 61.880 43.670 51.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35624 ATOM 35620 HW2 SOL 1349 62.260 42.230 50.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35625 ATOM 35621 OW SOL 1350 70.760 55.830 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35626 ATOM 35622 HW1 SOL 1350 71.050 55.740 45.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35627 ATOM 35623 HW2 SOL 1350 71.520 55.590 47.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35628 ATOM 35624 OW SOL 1351 63.410 42.910 54.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35629 ATOM 35625 HW1 SOL 1351 64.340 42.910 55.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35630 ATOM 35626 HW2 SOL 1351 62.830 42.360 55.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35631 ATOM 35627 OW SOL 1352 69.440 49.640 52.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35632 ATOM 35628 HW1 SOL 1352 69.030 50.080 53.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35633 ATOM 35629 HW2 SOL 1352 70.210 50.180 52.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35634 ATOM 35630 OW SOL 1353 55.230 52.570 53.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35635 ATOM 35631 HW1 SOL 1353 55.180 53.300 54.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35636 ATOM 35632 HW2 SOL 1353 55.850 52.860 52.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35637 ATOM 35633 OW SOL 1354 71.200 47.590 49.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35638 ATOM 35634 HW1 SOL 1354 71.610 47.370 48.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35639 ATOM 35635 HW2 SOL 1354 71.870 48.090 49.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35640 ATOM 35636 OW SOL 1355 68.280 38.520 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35641 ATOM 35637 HW1 SOL 1355 68.870 38.560 41.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35642 ATOM 35638 HW2 SOL 1355 67.320 38.590 40.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35643 ATOM 35639 OW SOL 1356 61.640 43.480 42.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35644 ATOM 35640 HW1 SOL 1356 61.490 44.440 42.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35645 ATOM 35641 HW2 SOL 1356 61.130 43.280 41.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35646 ATOM 35642 OW SOL 1357 1.180 46.470 51.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35647 ATOM 35643 HW1 SOL 1357 1.080 47.470 51.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35648 ATOM 35644 HW2 SOL 1357 1.460 46.200 50.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35649 ATOM 35645 OW SOL 1358 62.910 50.150 38.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35650 ATOM 35646 HW1 SOL 1358 61.980 50.500 38.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35651 ATOM 35647 HW2 SOL 1358 63.320 50.380 37.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35652 ATOM 35648 OW SOL 1359 62.320 54.960 47.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35653 ATOM 35649 HW1 SOL 1359 62.360 55.840 47.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35654 ATOM 35650 HW2 SOL 1359 62.340 54.220 47.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35655 ATOM 35651 OW SOL 1360 64.220 45.860 44.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35656 ATOM 35652 HW1 SOL 1360 64.570 45.030 44.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35657 ATOM 35653 HW2 SOL 1360 64.080 45.680 45.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35658 ATOM 35654 OW SOL 1361 66.630 47.060 38.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35659 ATOM 35655 HW1 SOL 1361 66.000 47.790 38.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35660 ATOM 35656 HW2 SOL 1361 66.320 46.610 37.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35661 ATOM 35657 OW SOL 1362 3.140 51.370 46.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35662 ATOM 35658 HW1 SOL 1362 3.500 52.310 46.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35663 ATOM 35659 HW2 SOL 1362 2.380 51.300 47.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35664 ATOM 35660 OW SOL 1363 57.640 50.750 54.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35665 ATOM 35661 HW1 SOL 1363 57.010 50.180 54.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35666 ATOM 35662 HW2 SOL 1363 57.440 50.650 55.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35667 ATOM 35663 OW SOL 1364 56.110 48.360 43.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35668 ATOM 35664 HW1 SOL 1364 56.250 48.150 44.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35669 ATOM 35665 HW2 SOL 1364 56.620 47.710 42.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35670 ATOM 35666 OW SOL 1365 61.590 50.150 52.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35671 ATOM 35667 HW1 SOL 1365 60.780 49.850 53.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35672 ATOM 35668 HW2 SOL 1365 62.210 50.640 53.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35673 ATOM 35669 OW SOL 1366 70.530 40.420 50.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35674 ATOM 35670 HW1 SOL 1366 69.920 39.650 50.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35675 ATOM 35671 HW2 SOL 1366 70.120 41.250 50.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35676 ATOM 35672 OW SOL 1367 62.100 39.640 41.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35677 ATOM 35673 HW1 SOL 1367 62.060 40.180 40.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35678 ATOM 35674 HW2 SOL 1367 62.700 40.100 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35679 ATOM 35675 OW SOL 1368 59.110 42.090 47.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35680 ATOM 35676 HW1 SOL 1368 59.690 41.400 47.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35681 ATOM 35677 HW2 SOL 1368 59.570 42.450 46.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35682 ATOM 35678 OW SOL 1369 62.490 52.530 43.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35683 ATOM 35679 HW1 SOL 1369 62.410 53.500 42.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35684 ATOM 35680 HW2 SOL 1369 61.680 52.050 42.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35685 ATOM 35681 OW SOL 1370 69.410 40.960 47.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35686 ATOM 35682 HW1 SOL 1370 69.770 40.030 47.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35687 ATOM 35683 HW2 SOL 1370 68.830 41.110 47.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35688 ATOM 35684 OW SOL 1371 68.100 37.530 49.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35689 ATOM 35685 HW1 SOL 1371 68.440 37.000 48.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35690 ATOM 35686 HW2 SOL 1371 67.470 36.980 49.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35691 ATOM 35687 OW SOL 1372 61.740 49.490 40.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35692 ATOM 35688 HW1 SOL 1372 61.910 48.520 40.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35693 ATOM 35689 HW2 SOL 1372 62.330 49.780 39.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35694 ATOM 35690 OW SOL 1373 59.330 52.770 48.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35695 ATOM 35691 HW1 SOL 1373 60.180 53.050 48.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35696 ATOM 35692 HW2 SOL 1373 59.520 52.130 47.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35697 ATOM 35693 OW SOL 1374 69.690 36.240 39.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35698 ATOM 35694 HW1 SOL 1374 69.310 35.860 38.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35699 ATOM 35695 HW2 SOL 1374 69.510 37.220 39.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35700 ATOM 35696 OW SOL 1375 67.520 41.060 42.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35701 ATOM 35697 HW1 SOL 1375 68.140 41.690 41.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35702 ATOM 35698 HW2 SOL 1375 67.930 40.730 42.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35703 ATOM 35699 OW SOL 1376 71.700 41.760 45.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35704 ATOM 35700 HW1 SOL 1376 72.390 42.280 46.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35705 ATOM 35701 HW2 SOL 1376 70.860 41.710 46.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35706 ATOM 35702 OW SOL 1377 55.270 45.140 40.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35707 ATOM 35703 HW1 SOL 1377 56.150 44.870 39.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35708 ATOM 35704 HW2 SOL 1377 55.290 45.040 41.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35709 ATOM 35705 OW SOL 1378 64.590 53.730 40.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35710 ATOM 35706 HW1 SOL 1378 63.610 53.600 39.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35711 ATOM 35707 HW2 SOL 1378 64.710 54.520 40.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35712 ATOM 35708 OW SOL 1379 57.010 43.770 57.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35713 ATOM 35709 HW1 SOL 1379 57.180 42.900 57.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35714 ATOM 35710 HW2 SOL 1379 56.110 43.760 56.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35715 ATOM 35711 OW SOL 1380 57.340 39.270 64.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35716 ATOM 35712 HW1 SOL 1380 56.890 38.880 65.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35717 ATOM 35713 HW2 SOL 1380 56.760 39.140 64.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35718 ATOM 35714 OW SOL 1381 55.650 39.580 62.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35719 ATOM 35715 HW1 SOL 1381 54.810 39.440 63.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35720 ATOM 35716 HW2 SOL 1381 55.440 39.490 61.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35721 ATOM 35717 OW SOL 1382 60.400 48.100 66.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35722 ATOM 35718 HW1 SOL 1382 59.980 49.000 66.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35723 ATOM 35719 HW2 SOL 1382 59.680 47.400 66.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35724 ATOM 35720 OW SOL 1383 71.750 54.510 62.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35725 ATOM 35721 HW1 SOL 1383 71.550 54.350 63.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35726 ATOM 35722 HW2 SOL 1383 71.690 55.490 62.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35727 ATOM 35723 OW SOL 1384 68.350 45.000 62.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35728 ATOM 35724 HW1 SOL 1384 68.420 45.930 63.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35729 ATOM 35725 HW2 SOL 1384 68.190 44.370 63.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35730 ATOM 35726 OW SOL 1385 72.100 44.540 58.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35731 ATOM 35727 HW1 SOL 1385 72.410 44.480 57.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35732 ATOM 35728 HW2 SOL 1385 71.960 43.610 58.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35733 ATOM 35729 OW SOL 1386 63.120 47.910 66.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35734 ATOM 35730 HW1 SOL 1386 62.120 47.820 66.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35735 ATOM 35731 HW2 SOL 1386 63.470 48.320 65.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35736 ATOM 35732 OW SOL 1387 63.400 43.620 1.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35737 ATOM 35733 HW1 SOL 1387 63.810 43.420 2.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35738 ATOM 35734 HW2 SOL 1387 63.970 44.280 1.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35739 ATOM 35735 OW SOL 1388 63.390 45.860 61.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35740 ATOM 35736 HW1 SOL 1388 63.750 45.690 62.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35741 ATOM 35737 HW2 SOL 1388 62.590 46.460 61.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35742 ATOM 35738 OW SOL 1389 58.980 50.560 65.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35743 ATOM 35739 HW1 SOL 1389 58.250 50.020 65.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35744 ATOM 35740 HW2 SOL 1389 59.350 51.200 65.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35745 ATOM 35741 OW SOL 1390 69.910 52.110 68.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35746 ATOM 35742 HW1 SOL 1390 69.980 51.850 67.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35747 ATOM 35743 HW2 SOL 1390 70.620 51.650 69.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35748 ATOM 35744 OW SOL 1391 61.370 40.550 71.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35749 ATOM 35745 HW1 SOL 1391 61.140 39.600 72.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35750 ATOM 35746 HW2 SOL 1391 62.280 40.770 72.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35751 ATOM 35747 OW SOL 1392 58.050 53.500 61.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35752 ATOM 35748 HW1 SOL 1392 57.300 53.210 61.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35753 ATOM 35749 HW2 SOL 1392 58.690 54.070 61.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35754 ATOM 35750 OW SOL 1393 57.910 51.170 59.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35755 ATOM 35751 HW1 SOL 1393 58.210 52.050 60.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35756 ATOM 35752 HW2 SOL 1393 57.610 50.590 60.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35757 ATOM 35753 OW SOL 1394 59.180 46.160 62.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35758 ATOM 35754 HW1 SOL 1394 59.640 45.430 62.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35759 ATOM 35755 HW2 SOL 1394 58.580 46.660 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35760 ATOM 35756 OW SOL 1395 60.240 53.400 70.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35761 ATOM 35757 HW1 SOL 1395 59.780 53.010 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35762 ATOM 35758 HW2 SOL 1395 61.190 53.090 70.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35763 ATOM 35759 OW SOL 1396 61.770 47.470 58.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35764 ATOM 35760 HW1 SOL 1396 61.360 47.900 58.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35765 ATOM 35761 HW2 SOL 1396 62.590 46.960 58.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35766 ATOM 35762 OW SOL 1397 71.130 35.360 69.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35767 ATOM 35763 HW1 SOL 1397 71.420 35.740 68.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35768 ATOM 35764 HW2 SOL 1397 70.130 35.340 69.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35769 ATOM 35765 OW SOL 1398 55.530 42.430 62.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35770 ATOM 35766 HW1 SOL 1398 55.690 41.440 62.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35771 ATOM 35767 HW2 SOL 1398 55.510 42.830 63.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35772 ATOM 35768 OW SOL 1399 56.290 52.820 56.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35773 ATOM 35769 HW1 SOL 1399 55.450 52.310 56.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35774 ATOM 35770 HW2 SOL 1399 56.510 53.370 57.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35775 ATOM 35771 OW SOL 1400 70.920 50.670 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35776 ATOM 35772 HW1 SOL 1400 71.410 51.520 60.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35777 ATOM 35773 HW2 SOL 1400 70.620 50.640 59.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35778 ATOM 35774 OW SOL 1401 58.930 45.070 0.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35779 ATOM 35775 HW1 SOL 1401 59.680 44.590 -0.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35780 ATOM 35776 HW2 SOL 1401 58.470 45.670 -0.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35781 ATOM 35777 OW SOL 1402 62.100 50.090 62.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35782 ATOM 35778 HW1 SOL 1402 61.860 49.120 62.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35783 ATOM 35779 HW2 SOL 1402 61.950 50.440 61.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35784 ATOM 35780 OW SOL 1403 68.500 48.080 68.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35785 ATOM 35781 HW1 SOL 1403 68.690 47.160 68.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35786 ATOM 35782 HW2 SOL 1403 68.590 48.100 69.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35787 ATOM 35783 OW SOL 1404 62.430 37.760 61.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35788 ATOM 35784 HW1 SOL 1404 63.370 37.450 61.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35789 ATOM 35785 HW2 SOL 1404 61.880 37.660 60.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35790 ATOM 35786 OW SOL 1405 58.200 46.130 67.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35791 ATOM 35787 HW1 SOL 1405 57.750 45.610 66.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35792 ATOM 35788 HW2 SOL 1405 58.600 45.500 67.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35793 ATOM 35789 OW SOL 1406 71.550 47.030 57.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35794 ATOM 35790 HW1 SOL 1406 70.660 47.220 56.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35795 ATOM 35791 HW2 SOL 1406 71.590 46.060 57.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35796 ATOM 35792 OW SOL 1407 69.660 57.010 69.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35797 ATOM 35793 HW1 SOL 1407 69.260 56.100 69.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35798 ATOM 35794 HW2 SOL 1407 69.840 57.240 70.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35799 ATOM 35795 OW SOL 1408 58.540 42.710 1.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35800 ATOM 35796 HW1 SOL 1408 58.670 43.660 1.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35801 ATOM 35797 HW2 SOL 1408 57.740 42.330 1.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35802 ATOM 35798 OW SOL 1409 69.420 51.340 66.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35803 ATOM 35799 HW1 SOL 1409 68.490 51.320 65.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35804 ATOM 35800 HW2 SOL 1409 69.910 50.520 65.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35805 ATOM 35801 OW SOL 1410 71.680 57.200 62.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35806 ATOM 35802 HW1 SOL 1410 71.440 58.170 62.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35807 ATOM 35803 HW2 SOL 1410 72.300 57.090 61.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35808 ATOM 35804 OW SOL 1411 61.940 43.220 58.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35809 ATOM 35805 HW1 SOL 1411 62.370 44.120 58.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35810 ATOM 35806 HW2 SOL 1411 61.040 43.250 59.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35811 ATOM 35807 OW SOL 1412 68.180 41.170 65.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35812 ATOM 35808 HW1 SOL 1412 67.220 40.990 64.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35813 ATOM 35809 HW2 SOL 1412 68.530 40.440 65.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35814 ATOM 35810 OW SOL 1413 70.690 53.670 60.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35815 ATOM 35811 HW1 SOL 1413 70.970 53.930 61.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35816 ATOM 35812 HW2 SOL 1413 69.880 54.190 60.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35817 ATOM 35813 OW SOL 1414 64.280 42.650 69.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35818 ATOM 35814 HW1 SOL 1414 64.270 42.240 70.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35819 ATOM 35815 HW2 SOL 1414 63.530 42.270 69.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35820 ATOM 35816 OW SOL 1415 64.860 45.090 72.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35821 ATOM 35817 HW1 SOL 1415 65.480 44.440 72.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35822 ATOM 35818 HW2 SOL 1415 64.220 45.450 71.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35823 ATOM 35819 OW SOL 1416 64.910 39.590 68.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35824 ATOM 35820 HW1 SOL 1416 64.200 40.100 68.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35825 ATOM 35821 HW2 SOL 1416 64.480 39.080 69.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35826 ATOM 35822 OW SOL 1417 67.140 43.670 60.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35827 ATOM 35823 HW1 SOL 1417 67.710 44.260 61.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35828 ATOM 35824 HW2 SOL 1417 66.870 42.870 61.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35829 ATOM 35825 OW SOL 1418 57.140 44.170 65.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35830 ATOM 35826 HW1 SOL 1418 58.030 44.250 64.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35831 ATOM 35827 HW2 SOL 1418 56.430 44.540 64.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35832 ATOM 35828 OW SOL 1419 55.680 54.940 71.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35833 ATOM 35829 HW1 SOL 1419 55.130 55.760 71.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35834 ATOM 35830 HW2 SOL 1419 55.430 54.520 70.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35835 ATOM 35831 OW SOL 1420 64.460 38.570 58.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35836 ATOM 35832 HW1 SOL 1420 65.210 38.610 58.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35837 ATOM 35833 HW2 SOL 1420 63.620 38.290 58.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35838 ATOM 35834 OW SOL 1421 68.460 48.680 59.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35839 ATOM 35835 HW1 SOL 1421 67.810 47.920 59.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35840 ATOM 35836 HW2 SOL 1421 68.050 49.490 60.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35841 ATOM 35837 OW SOL 1422 59.890 37.830 64.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35842 ATOM 35838 HW1 SOL 1422 59.310 38.440 65.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35843 ATOM 35839 HW2 SOL 1422 60.680 38.330 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35844 ATOM 35840 OW SOL 1423 64.110 51.520 59.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35845 ATOM 35841 HW1 SOL 1423 63.360 51.490 58.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35846 ATOM 35842 HW2 SOL 1423 63.880 52.140 59.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35847 ATOM 35843 OW SOL 1424 59.800 54.550 63.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35848 ATOM 35844 HW1 SOL 1424 60.160 53.630 62.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35849 ATOM 35845 HW2 SOL 1424 59.640 54.720 64.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35850 ATOM 35846 OW SOL 1425 71.060 48.900 62.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35851 ATOM 35847 HW1 SOL 1425 71.790 48.270 62.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35852 ATOM 35848 HW2 SOL 1425 70.940 49.590 61.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35853 ATOM 35849 OW SOL 1426 67.910 50.810 70.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35854 ATOM 35850 HW1 SOL 1426 68.530 50.040 70.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35855 ATOM 35851 HW2 SOL 1426 68.250 51.360 69.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35856 ATOM 35852 OW SOL 1427 58.960 45.460 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35857 ATOM 35853 HW1 SOL 1427 59.410 45.500 56.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35858 ATOM 35854 HW2 SOL 1427 58.130 44.900 57.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35859 ATOM 35855 OW SOL 1428 1.620 45.050 63.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35860 ATOM 35856 HW1 SOL 1428 0.700 44.650 63.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35861 ATOM 35857 HW2 SOL 1428 1.990 45.100 64.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35862 ATOM 35858 OW SOL 1429 60.290 48.300 0.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35863 ATOM 35859 HW1 SOL 1429 59.400 48.200 0.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35864 ATOM 35860 HW2 SOL 1429 60.650 47.390 0.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35865 ATOM 35861 OW SOL 1430 67.930 54.940 57.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35866 ATOM 35862 HW1 SOL 1430 66.930 54.910 57.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35867 ATOM 35863 HW2 SOL 1430 68.280 54.050 57.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35868 ATOM 35864 OW SOL 1431 54.890 40.490 68.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35869 ATOM 35865 HW1 SOL 1431 55.590 41.070 68.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35870 ATOM 35866 HW2 SOL 1431 54.970 40.530 69.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35871 ATOM 35867 OW SOL 1432 60.870 53.140 57.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35872 ATOM 35868 HW1 SOL 1432 60.930 53.750 58.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35873 ATOM 35869 HW2 SOL 1432 61.270 52.250 57.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35874 ATOM 35870 OW SOL 1433 68.060 37.120 61.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35875 ATOM 35871 HW1 SOL 1433 68.250 36.580 60.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35876 ATOM 35872 HW2 SOL 1433 68.780 36.940 61.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35877 ATOM 35873 OW SOL 1434 56.580 54.170 67.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35878 ATOM 35874 HW1 SOL 1434 57.090 53.320 67.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35879 ATOM 35875 HW2 SOL 1434 56.450 54.320 66.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35880 ATOM 35876 OW SOL 1435 64.030 52.790 63.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35881 ATOM 35877 HW1 SOL 1435 65.010 52.960 63.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35882 ATOM 35878 HW2 SOL 1435 63.790 52.740 62.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35883 ATOM 35879 OW SOL 1436 59.440 43.860 59.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35884 ATOM 35880 HW1 SOL 1436 58.580 43.350 59.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35885 ATOM 35881 HW2 SOL 1436 59.430 44.580 59.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35886 ATOM 35882 OW SOL 1437 63.230 37.120 56.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35887 ATOM 35883 HW1 SOL 1437 64.150 37.530 56.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35888 ATOM 35884 HW2 SOL 1437 63.160 36.470 55.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35889 ATOM 35885 OW SOL 1438 61.300 39.150 2.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35890 ATOM 35886 HW1 SOL 1438 62.250 39.450 2.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35891 ATOM 35887 HW2 SOL 1438 61.290 38.350 1.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35892 ATOM 35888 OW SOL 1439 64.540 51.490 67.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35893 ATOM 35889 HW1 SOL 1439 63.750 51.610 66.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35894 ATOM 35890 HW2 SOL 1439 64.860 50.550 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35895 ATOM 35891 OW SOL 1440 68.710 42.340 70.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35896 ATOM 35892 HW1 SOL 1440 68.950 41.970 70.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35897 ATOM 35893 HW2 SOL 1440 69.130 43.240 69.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35898 ATOM 35894 OW SOL 1441 64.170 49.680 64.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35899 ATOM 35895 HW1 SOL 1441 64.880 50.380 64.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35900 ATOM 35896 HW2 SOL 1441 63.500 49.980 63.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35901 ATOM 35897 OW SOL 1442 65.450 41.040 64.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35902 ATOM 35898 HW1 SOL 1442 65.620 41.040 63.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35903 ATOM 35899 HW2 SOL 1442 65.220 40.110 64.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35904 ATOM 35900 OW SOL 1443 60.920 37.290 59.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35905 ATOM 35901 HW1 SOL 1443 60.050 37.210 59.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35906 ATOM 35902 HW2 SOL 1443 60.990 38.200 58.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35907 ATOM 35903 OW SOL 1444 68.590 50.290 54.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35908 ATOM 35904 HW1 SOL 1444 69.130 49.520 55.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35909 ATOM 35905 HW2 SOL 1444 68.010 50.660 55.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35910 ATOM 35906 OW SOL 1445 57.010 37.020 56.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35911 ATOM 35907 HW1 SOL 1445 56.680 37.340 57.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35912 ATOM 35908 HW2 SOL 1445 57.840 36.490 56.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35913 ATOM 35909 OW SOL 1446 65.350 37.190 61.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35914 ATOM 35910 HW1 SOL 1446 64.960 37.880 60.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35915 ATOM 35911 HW2 SOL 1446 66.270 36.940 60.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35916 ATOM 35912 OW SOL 1447 66.520 43.570 70.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35917 ATOM 35913 HW1 SOL 1447 65.700 43.320 70.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35918 ATOM 35914 HW2 SOL 1447 67.290 43.020 70.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35919 ATOM 35915 OW SOL 1448 66.800 53.290 63.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35920 ATOM 35916 HW1 SOL 1448 67.040 53.280 62.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35921 ATOM 35917 HW2 SOL 1448 66.750 52.350 64.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35922 ATOM 35918 OW SOL 1449 61.340 47.610 61.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35923 ATOM 35919 HW1 SOL 1449 60.490 47.150 61.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35924 ATOM 35920 HW2 SOL 1449 61.430 47.570 60.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35925 ATOM 35921 OW SOL 1450 65.790 56.290 60.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35926 ATOM 35922 HW1 SOL 1450 66.280 57.140 60.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35927 ATOM 35923 HW2 SOL 1450 65.040 56.200 60.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35928 ATOM 35924 OW SOL 1451 65.940 42.940 56.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35929 ATOM 35925 HW1 SOL 1451 66.280 43.870 56.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35930 ATOM 35926 HW2 SOL 1451 66.000 42.430 57.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35931 ATOM 35927 OW SOL 1452 58.990 44.380 69.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35932 ATOM 35928 HW1 SOL 1452 59.080 43.600 69.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35933 ATOM 35929 HW2 SOL 1452 58.920 45.220 69.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35934 ATOM 35930 OW SOL 1453 59.960 40.270 67.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35935 ATOM 35931 HW1 SOL 1453 59.580 39.370 67.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35936 ATOM 35932 HW2 SOL 1453 59.410 40.700 67.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35937 ATOM 35933 OW SOL 1454 65.770 41.280 62.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35938 ATOM 35934 HW1 SOL 1454 65.100 41.220 61.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35939 ATOM 35935 HW2 SOL 1454 66.610 40.820 61.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35940 ATOM 35936 OW SOL 1455 62.210 39.130 63.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35941 ATOM 35937 HW1 SOL 1455 62.280 38.610 63.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35942 ATOM 35938 HW2 SOL 1455 61.880 40.050 63.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35943 ATOM 35939 OW SOL 1456 68.140 50.830 61.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35944 ATOM 35940 HW1 SOL 1456 69.130 50.930 61.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35945 ATOM 35941 HW2 SOL 1456 67.710 51.730 61.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35946 ATOM 35942 OW SOL 1457 71.080 43.020 66.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35947 ATOM 35943 HW1 SOL 1457 70.650 42.340 66.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35948 ATOM 35944 HW2 SOL 1457 71.750 42.560 65.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35949 ATOM 35945 OW SOL 1458 72.330 44.960 60.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35950 ATOM 35946 HW1 SOL 1458 72.330 45.850 61.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35951 ATOM 35947 HW2 SOL 1458 72.440 45.080 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35952 ATOM 35948 OW SOL 1459 60.000 48.730 56.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35953 ATOM 35949 HW1 SOL 1459 59.050 48.920 57.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35954 ATOM 35950 HW2 SOL 1459 60.070 48.650 55.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35955 ATOM 35951 OW SOL 1460 69.490 41.870 57.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35956 ATOM 35952 HW1 SOL 1460 68.510 41.680 57.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35957 ATOM 35953 HW2 SOL 1460 69.900 42.070 58.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35958 ATOM 35954 OW SOL 1461 61.380 39.290 57.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35959 ATOM 35955 HW1 SOL 1461 61.560 38.560 56.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35960 ATOM 35956 HW2 SOL 1461 61.340 40.170 57.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35961 ATOM 35957 OW SOL 1462 66.210 49.120 66.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35962 ATOM 35958 HW1 SOL 1462 65.670 48.310 66.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35963 ATOM 35959 HW2 SOL 1462 66.910 48.880 67.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35964 ATOM 35960 OW SOL 1463 66.960 50.780 64.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35965 ATOM 35961 HW1 SOL 1463 66.530 50.300 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35966 ATOM 35962 HW2 SOL 1463 67.090 50.140 64.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35967 ATOM 35963 OW SOL 1464 0.160 48.990 66.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35968 ATOM 35964 HW1 SOL 1464 0.400 49.060 67.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35969 ATOM 35965 HW2 SOL 1464 -0.760 48.600 66.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35970 ATOM 35966 OW SOL 1465 65.040 36.560 70.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35971 ATOM 35967 HW1 SOL 1465 65.020 36.070 69.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35972 ATOM 35968 HW2 SOL 1465 65.920 37.010 70.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35973 ATOM 35969 OW SOL 1466 63.560 45.470 58.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35974 ATOM 35970 HW1 SOL 1466 63.480 45.680 59.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35975 ATOM 35971 HW2 SOL 1466 64.520 45.350 58.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35976 ATOM 35972 OW SOL 1467 60.590 43.380 67.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35977 ATOM 35973 HW1 SOL 1467 59.890 43.550 67.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35978 ATOM 35974 HW2 SOL 1467 61.140 42.590 67.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35979 ATOM 35975 OW SOL 1468 67.690 39.870 69.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35980 ATOM 35976 HW1 SOL 1468 67.940 40.740 69.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35981 ATOM 35977 HW2 SOL 1468 66.720 39.900 68.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35982 ATOM 35978 OW SOL 1469 56.150 51.290 69.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35983 ATOM 35979 HW1 SOL 1469 56.910 51.580 69.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35984 ATOM 35980 HW2 SOL 1469 56.460 51.190 70.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35985 ATOM 35981 OW SOL 1470 58.060 46.740 60.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35986 ATOM 35982 HW1 SOL 1470 58.610 46.450 60.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35987 ATOM 35983 HW2 SOL 1470 58.530 46.490 59.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35988 ATOM 35984 OW SOL 1471 61.370 41.690 63.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35989 ATOM 35985 HW1 SOL 1471 61.370 42.410 63.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35990 ATOM 35986 HW2 SOL 1471 62.010 41.930 64.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35991 ATOM 35987 OW SOL 1472 65.300 52.770 56.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35992 ATOM 35988 HW1 SOL 1472 65.360 53.520 55.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35993 ATOM 35989 HW2 SOL 1472 65.300 53.130 57.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35994 ATOM 35990 OW SOL 1473 68.650 54.520 69.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35995 ATOM 35991 HW1 SOL 1473 69.220 53.690 69.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35996 ATOM 35992 HW2 SOL 1473 67.700 54.290 69.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35997 ATOM 35993 OW SOL 1474 70.640 43.360 62.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35998 ATOM 35994 HW1 SOL 1474 69.890 43.950 62.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
35999 ATOM 35995 HW2 SOL 1474 71.390 43.920 61.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36000 ATOM 35996 OW SOL 1475 58.390 52.170 67.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36001 ATOM 35997 HW1 SOL 1475 58.610 51.540 67.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36002 ATOM 35998 HW2 SOL 1475 59.230 52.550 68.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36003 ATOM 35999 OW SOL 1476 60.940 43.810 71.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36004 ATOM 36000 HW1 SOL 1476 61.700 44.220 71.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36005 ATOM 36001 HW2 SOL 1476 61.110 42.830 71.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36006 ATOM 36002 OW SOL 1477 69.360 48.320 71.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36007 ATOM 36003 HW1 SOL 1477 68.820 47.780 71.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36008 ATOM 36004 HW2 SOL 1477 70.320 48.040 71.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36009 ATOM 36005 OW SOL 1478 62.480 45.220 66.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36010 ATOM 36006 HW1 SOL 1478 62.510 46.140 66.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36011 ATOM 36007 HW2 SOL 1478 61.790 44.680 66.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36012 ATOM 36008 OW SOL 1479 69.480 45.410 67.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36013 ATOM 36009 HW1 SOL 1479 68.600 44.960 67.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36014 ATOM 36010 HW2 SOL 1479 70.150 44.730 67.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36015 ATOM 36011 OW SOL 1480 66.750 41.870 58.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36016 ATOM 36012 HW1 SOL 1480 66.930 41.030 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36017 ATOM 36013 HW2 SOL 1480 66.960 42.660 59.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36018 ATOM 36014 OW SOL 1481 55.750 38.550 66.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36019 ATOM 36015 HW1 SOL 1481 55.390 39.130 67.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36020 ATOM 36016 HW2 SOL 1481 55.480 37.600 67.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36021 ATOM 36017 OW SOL 1482 56.470 49.190 65.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36022 ATOM 36018 HW1 SOL 1482 56.950 49.030 66.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36023 ATOM 36019 HW2 SOL 1482 55.480 49.210 65.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36024 ATOM 36020 OW SOL 1483 63.340 42.420 65.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36025 ATOM 36021 HW1 SOL 1483 64.240 42.140 65.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36026 ATOM 36022 HW2 SOL 1483 63.330 43.410 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36027 ATOM 36023 OW SOL 1484 58.700 36.850 60.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36028 ATOM 36024 HW1 SOL 1484 58.480 37.800 60.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36029 ATOM 36025 HW2 SOL 1484 58.710 36.310 61.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36030 ATOM 36026 OW SOL 1485 71.100 41.860 59.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36031 ATOM 36027 HW1 SOL 1485 71.390 40.920 59.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36032 ATOM 36028 HW2 SOL 1485 70.890 42.320 60.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36033 ATOM 36029 OW SOL 1486 66.440 43.960 65.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36034 ATOM 36030 HW1 SOL 1486 66.680 44.480 65.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36035 ATOM 36031 HW2 SOL 1486 66.970 43.110 65.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36036 ATOM 36032 OW SOL 1487 70.250 39.210 56.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36037 ATOM 36033 HW1 SOL 1487 69.960 40.030 56.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36038 ATOM 36034 HW2 SOL 1487 70.670 39.470 55.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36039 ATOM 36035 OW SOL 1488 68.930 45.330 54.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36040 ATOM 36036 HW1 SOL 1488 69.220 44.370 54.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36041 ATOM 36037 HW2 SOL 1488 69.190 45.750 53.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36042 ATOM 36038 OW SOL 1489 66.690 48.990 63.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36043 ATOM 36039 HW1 SOL 1489 65.720 48.870 62.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36044 ATOM 36040 HW2 SOL 1489 67.120 49.430 62.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36045 ATOM 36041 OW SOL 1490 59.880 44.310 64.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36046 ATOM 36042 HW1 SOL 1490 60.530 44.170 63.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36047 ATOM 36043 HW2 SOL 1490 60.320 44.070 65.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36048 ATOM 36044 OW SOL 1491 59.260 41.300 65.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36049 ATOM 36045 HW1 SOL 1491 58.580 40.700 64.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36050 ATOM 36046 HW2 SOL 1491 60.050 41.400 64.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36051 ATOM 36047 OW SOL 1492 67.470 37.330 70.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36052 ATOM 36048 HW1 SOL 1492 67.910 37.360 71.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36053 ATOM 36049 HW2 SOL 1492 67.830 38.070 69.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36054 ATOM 36050 OW SOL 1493 54.830 50.340 56.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36055 ATOM 36051 HW1 SOL 1493 53.970 50.600 57.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36056 ATOM 36052 HW2 SOL 1493 54.930 49.340 56.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36057 ATOM 36053 OW SOL 1494 56.740 54.340 64.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36058 ATOM 36054 HW1 SOL 1494 56.740 53.370 64.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36059 ATOM 36055 HW2 SOL 1494 57.540 54.780 64.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36060 ATOM 36056 OW SOL 1495 60.450 51.800 63.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36061 ATOM 36057 HW1 SOL 1495 61.100 52.360 64.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36062 ATOM 36058 HW2 SOL 1495 60.930 51.050 63.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36063 ATOM 36059 OW SOL 1496 66.830 44.890 68.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36064 ATOM 36060 HW1 SOL 1496 66.430 43.980 68.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36065 ATOM 36061 HW2 SOL 1496 66.190 45.580 68.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36066 ATOM 36062 OW SOL 1497 57.130 41.960 67.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36067 ATOM 36063 HW1 SOL 1497 57.740 41.960 66.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36068 ATOM 36064 HW2 SOL 1497 57.600 42.380 68.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36069 ATOM 36065 OW SOL 1498 63.890 41.020 59.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36070 ATOM 36066 HW1 SOL 1498 64.030 40.140 59.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36071 ATOM 36067 HW2 SOL 1498 63.470 41.670 59.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36072 ATOM 36068 OW SOL 1499 59.770 51.730 72.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36073 ATOM 36069 HW1 SOL 1499 58.970 51.140 72.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36074 ATOM 36070 HW2 SOL 1499 59.720 52.260 72.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36075 ATOM 36071 OW SOL 1500 62.450 41.440 68.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36076 ATOM 36072 HW1 SOL 1500 61.660 40.840 68.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36077 ATOM 36073 HW2 SOL 1500 62.650 41.620 67.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36078 ATOM 36074 OW SOL 1501 66.260 53.610 68.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36079 ATOM 36075 HW1 SOL 1501 65.900 52.730 67.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36080 ATOM 36076 HW2 SOL 1501 66.310 54.230 67.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36081 ATOM 36077 OW SOL 1502 61.560 41.870 56.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36082 ATOM 36078 HW1 SOL 1502 61.740 42.320 57.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36083 ATOM 36079 HW2 SOL 1502 60.760 42.290 55.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36084 ATOM 36080 OW SOL 1503 57.710 48.570 68.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36085 ATOM 36081 HW1 SOL 1503 58.350 48.880 68.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36086 ATOM 36082 HW2 SOL 1503 57.970 47.650 67.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36087 ATOM 36083 OW SOL 1504 70.090 48.660 66.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36088 ATOM 36084 HW1 SOL 1504 69.830 47.960 65.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36089 ATOM 36085 HW2 SOL 1504 69.550 48.540 66.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36090 ATOM 36086 OW SOL 1505 69.770 47.680 55.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36091 ATOM 36087 HW1 SOL 1505 70.650 47.770 54.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36092 ATOM 36088 HW2 SOL 1505 69.360 46.800 55.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36093 ATOM 36089 OW SOL 1506 1.670 52.400 65.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36094 ATOM 36090 HW1 SOL 1506 1.180 51.820 65.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36095 ATOM 36091 HW2 SOL 1506 1.950 51.850 66.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36096 ATOM 36092 OW SOL 1507 69.600 55.690 66.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36097 ATOM 36093 HW1 SOL 1507 70.360 55.160 66.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36098 ATOM 36094 HW2 SOL 1507 69.170 55.180 67.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36099 ATOM 36095 OW SOL 1508 57.120 47.360 63.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36100 ATOM 36096 HW1 SOL 1508 56.820 48.120 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36101 ATOM 36097 HW2 SOL 1508 56.470 46.600 64.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36102 ATOM 36098 OW SOL 1509 66.860 53.530 61.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36103 ATOM 36099 HW1 SOL 1509 66.770 54.510 60.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36104 ATOM 36100 HW2 SOL 1509 67.270 53.100 60.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36105 ATOM 36101 OW SOL 1510 68.900 47.380 63.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36106 ATOM 36102 HW1 SOL 1510 69.640 47.800 63.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36107 ATOM 36103 HW2 SOL 1510 68.130 48.020 63.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36108 ATOM 36104 OW SOL 1511 65.490 49.920 70.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36109 ATOM 36105 HW1 SOL 1511 66.340 50.360 70.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36110 ATOM 36106 HW2 SOL 1511 64.810 50.620 70.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36111 ATOM 36107 OW SOL 1512 62.160 50.700 57.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36112 ATOM 36108 HW1 SOL 1512 62.440 51.070 56.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36113 ATOM 36109 HW2 SOL 1512 61.390 50.070 57.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36114 ATOM 36110 OW SOL 1513 57.860 39.480 61.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36115 ATOM 36111 HW1 SOL 1513 56.940 39.560 61.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36116 ATOM 36112 HW2 SOL 1513 57.870 39.850 62.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36117 ATOM 36113 OW SOL 1514 68.540 53.210 54.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36118 ATOM 36114 HW1 SOL 1514 69.010 52.340 54.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36119 ATOM 36115 HW2 SOL 1514 67.870 53.120 54.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36120 ATOM 36116 OW SOL 1515 64.430 47.420 68.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36121 ATOM 36117 HW1 SOL 1515 63.970 47.580 68.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36122 ATOM 36118 HW2 SOL 1515 64.950 48.230 69.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36123 ATOM 36119 OW SOL 1516 66.250 45.650 58.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36124 ATOM 36120 HW1 SOL 1516 66.450 45.730 57.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36125 ATOM 36121 HW2 SOL 1516 66.700 44.830 59.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36126 ATOM 36122 OW SOL 1517 70.840 54.300 55.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36127 ATOM 36123 HW1 SOL 1517 70.010 54.050 55.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36128 ATOM 36124 HW2 SOL 1517 71.230 53.480 56.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36129 ATOM 36125 OW SOL 1518 59.920 48.850 69.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36130 ATOM 36126 HW1 SOL 1518 60.610 49.200 70.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36131 ATOM 36127 HW2 SOL 1518 60.220 48.980 68.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36132 ATOM 36128 OW SOL 1519 65.930 47.160 60.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36133 ATOM 36129 HW1 SOL 1519 65.800 46.570 61.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36134 ATOM 36130 HW2 SOL 1519 66.010 46.610 59.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36135 ATOM 36131 OW SOL 1520 64.390 38.440 65.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36136 ATOM 36132 HW1 SOL 1520 63.570 38.660 64.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36137 ATOM 36133 HW2 SOL 1520 64.120 38.270 66.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36138 ATOM 36134 OW SOL 1521 60.820 50.820 59.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36139 ATOM 36135 HW1 SOL 1521 61.280 50.140 59.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36140 ATOM 36136 HW2 SOL 1521 59.840 50.810 59.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36141 ATOM 36137 OW SOL 1522 57.490 49.780 57.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36142 ATOM 36138 HW1 SOL 1522 56.500 49.780 57.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36143 ATOM 36139 HW2 SOL 1522 57.910 50.470 58.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36144 ATOM 36140 OW SOL 1523 58.380 46.810 70.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36145 ATOM 36141 HW1 SOL 1523 59.000 47.490 70.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36146 ATOM 36142 HW2 SOL 1523 57.440 47.160 70.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36147 ATOM 36143 OW SOL 1524 61.970 37.260 69.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36148 ATOM 36144 HW1 SOL 1524 62.570 36.970 68.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36149 ATOM 36145 HW2 SOL 1524 62.530 37.560 70.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36150 ATOM 36146 OW SOL 1525 55.460 40.660 56.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36151 ATOM 36147 HW1 SOL 1525 54.930 40.740 55.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36152 ATOM 36148 HW2 SOL 1525 55.030 41.200 56.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36153 ATOM 36149 OW SOL 1526 69.770 44.770 70.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36154 ATOM 36150 HW1 SOL 1526 69.470 45.620 69.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36155 ATOM 36151 HW2 SOL 1526 69.790 44.910 71.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36156 ATOM 36152 OW SOL 1527 54.540 38.310 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36157 ATOM 36153 HW1 SOL 1527 53.640 38.310 57.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36158 ATOM 36154 HW2 SOL 1527 55.140 38.950 57.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36159 ATOM 36155 OW SOL 1528 67.260 51.200 57.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36160 ATOM 36156 HW1 SOL 1528 66.740 50.610 57.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36161 ATOM 36157 HW2 SOL 1528 66.640 51.790 56.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36162 ATOM 36158 OW SOL 1529 63.260 45.240 70.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36163 ATOM 36159 HW1 SOL 1529 63.740 46.050 70.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36164 ATOM 36160 HW2 SOL 1529 63.440 44.480 69.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36165 ATOM 36161 OW SOL 1530 71.160 53.550 65.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36166 ATOM 36162 HW1 SOL 1530 70.460 52.830 65.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36167 ATOM 36163 HW2 SOL 1530 72.020 53.170 65.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36168 ATOM 36164 OW SOL 1531 64.030 41.510 72.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36169 ATOM 36165 HW1 SOL 1531 63.670 41.960 73.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36170 ATOM 36166 HW2 SOL 1531 64.800 40.930 72.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36171 ATOM 36167 OW SOL 1532 58.490 55.440 71.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36172 ATOM 36168 HW1 SOL 1532 57.560 55.100 71.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36173 ATOM 36169 HW2 SOL 1532 58.960 54.840 70.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36174 ATOM 36170 OW SOL 1533 0.490 44.160 67.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36175 ATOM 36171 HW1 SOL 1533 1.160 44.450 67.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36176 ATOM 36172 HW2 SOL 1533 -0.350 43.860 67.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36177 ATOM 36173 OW SOL 1534 68.090 39.960 61.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36178 ATOM 36174 HW1 SOL 1534 68.170 38.970 60.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36179 ATOM 36175 HW2 SOL 1534 68.850 40.290 61.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36180 ATOM 36176 OW SOL 1535 61.190 44.000 62.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36181 ATOM 36177 HW1 SOL 1535 62.050 44.250 61.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36182 ATOM 36178 HW2 SOL 1535 60.480 43.890 61.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36183 ATOM 36179 OW SOL 1536 72.490 44.350 70.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36184 ATOM 36180 HW1 SOL 1536 72.830 44.430 69.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36185 ATOM 36181 HW2 SOL 1536 71.530 44.070 70.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36186 ATOM 36182 OW SOL 1537 64.500 48.700 56.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36187 ATOM 36183 HW1 SOL 1537 64.660 47.730 55.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36188 ATOM 36184 HW2 SOL 1537 64.830 48.910 57.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36189 ATOM 36185 OW SOL 1538 62.480 52.600 65.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36190 ATOM 36186 HW1 SOL 1538 62.330 53.550 66.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36191 ATOM 36187 HW2 SOL 1538 63.200 52.540 65.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36192 ATOM 36188 OW SOL 1539 64.440 45.540 64.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36193 ATOM 36189 HW1 SOL 1539 65.240 45.000 64.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36194 ATOM 36190 HW2 SOL 1539 63.760 45.490 64.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36195 ATOM 36191 OW SOL 1540 66.740 45.720 56.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36196 ATOM 36192 HW1 SOL 1540 65.910 45.830 55.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36197 ATOM 36193 HW2 SOL 1540 67.540 45.690 55.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36198 ATOM 36194 OW SOL 1541 3.510 49.110 62.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36199 ATOM 36195 HW1 SOL 1541 3.990 49.630 63.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36200 ATOM 36196 HW2 SOL 1541 3.100 49.750 62.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36201 ATOM 36197 OW SOL 1542 57.080 49.070 61.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36202 ATOM 36198 HW1 SOL 1542 57.040 48.540 62.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36203 ATOM 36199 HW2 SOL 1542 57.230 48.450 60.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36204 ATOM 36200 OW SOL 1543 63.600 48.350 72.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36205 ATOM 36201 HW1 SOL 1543 62.660 48.230 71.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36206 ATOM 36202 HW2 SOL 1543 64.170 48.590 71.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36207 ATOM 36203 OW SOL 1544 72.580 36.250 66.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36208 ATOM 36204 HW1 SOL 1544 71.880 36.270 66.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36209 ATOM 36205 HW2 SOL 1544 73.460 36.010 66.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36210 ATOM 36206 OW SOL 1545 57.990 41.290 58.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36211 ATOM 36207 HW1 SOL 1545 58.300 40.810 57.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36212 ATOM 36208 HW2 SOL 1545 58.070 40.680 59.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36213 ATOM 36209 OW SOL 1546 59.400 41.460 70.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36214 ATOM 36210 HW1 SOL 1546 60.160 41.240 70.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36215 ATOM 36211 HW2 SOL 1546 59.500 40.930 69.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36216 ATOM 36212 OW SOL 1547 62.700 53.060 60.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36217 ATOM 36213 HW1 SOL 1547 62.400 53.810 60.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36218 ATOM 36214 HW2 SOL 1547 62.060 52.300 60.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36219 ATOM 36215 OW SOL 1548 68.970 39.390 66.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36220 ATOM 36216 HW1 SOL 1548 68.820 38.430 66.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36221 ATOM 36217 HW2 SOL 1548 68.600 39.570 67.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36222 ATOM 36218 OW SOL 1549 63.290 36.590 67.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36223 ATOM 36219 HW1 SOL 1549 62.620 36.240 66.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36224 ATOM 36220 HW2 SOL 1549 64.120 36.020 67.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36225 ATOM 36221 OW SOL 1550 65.430 49.370 58.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36226 ATOM 36222 HW1 SOL 1550 65.360 48.690 59.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36227 ATOM 36223 HW2 SOL 1550 64.870 50.160 59.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36228 ATOM 36224 OW SOL 1551 62.090 50.420 70.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36229 ATOM 36225 HW1 SOL 1551 61.540 50.990 71.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36230 ATOM 36226 HW2 SOL 1551 62.410 50.980 70.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36231 ATOM 36227 OW SOL 1552 68.220 34.780 59.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36232 ATOM 36228 HW1 SOL 1552 68.680 34.860 58.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36233 ATOM 36229 HW2 SOL 1552 67.230 34.740 59.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36234 ATOM 36230 OW SOL 1553 70.020 40.800 62.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36235 ATOM 36231 HW1 SOL 1553 70.210 41.780 62.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36236 ATOM 36232 HW2 SOL 1553 69.770 40.480 63.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36237 ATOM 36233 OW SOL 1554 71.960 39.990 66.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36238 ATOM 36234 HW1 SOL 1554 70.970 39.930 66.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36239 ATOM 36235 HW2 SOL 1554 72.420 39.760 67.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36240 ATOM 36236 OW SOL 1555 55.500 46.380 59.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36241 ATOM 36237 HW1 SOL 1555 56.460 46.550 59.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36242 ATOM 36238 HW2 SOL 1555 55.260 45.440 59.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36243 ATOM 36239 OW SOL 1556 65.400 54.870 58.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36244 ATOM 36240 HW1 SOL 1556 64.490 55.230 57.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36245 ATOM 36241 HW2 SOL 1556 65.760 55.300 58.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36246 ATOM 36242 OW SOL 1557 59.220 63.250 0.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36247 ATOM 36243 HW1 SOL 1557 58.740 62.380 0.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36248 ATOM 36244 HW2 SOL 1557 60.040 63.110 -0.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36249 ATOM 36245 OW SOL 1558 56.210 60.260 9.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36250 ATOM 36246 HW1 SOL 1558 55.290 60.030 9.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36251 ATOM 36247 HW2 SOL 1558 56.160 60.870 8.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36252 ATOM 36248 OW SOL 1559 54.710 58.530 6.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36253 ATOM 36249 HW1 SOL 1559 54.030 59.250 6.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36254 ATOM 36250 HW2 SOL 1559 54.280 57.770 5.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36255 ATOM 36251 OW SOL 1560 59.960 66.840 12.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36256 ATOM 36252 HW1 SOL 1560 59.920 66.860 13.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36257 ATOM 36253 HW2 SOL 1560 60.800 66.380 12.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36258 ATOM 36254 OW SOL 1561 70.270 71.260 5.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36259 ATOM 36255 HW1 SOL 1561 69.830 70.360 5.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36260 ATOM 36256 HW2 SOL 1561 70.350 71.610 4.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36261 ATOM 36257 OW SOL 1562 65.720 61.040 5.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36262 ATOM 36258 HW1 SOL 1562 66.000 61.970 5.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36263 ATOM 36259 HW2 SOL 1562 64.950 60.770 5.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36264 ATOM 36260 OW SOL 1563 71.470 62.980 1.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36265 ATOM 36261 HW1 SOL 1563 71.180 63.870 1.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36266 ATOM 36262 HW2 SOL 1563 70.670 62.450 2.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36267 ATOM 36263 OW SOL 1564 62.170 65.980 11.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36268 ATOM 36264 HW1 SOL 1564 61.970 65.010 10.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36269 ATOM 36265 HW2 SOL 1564 62.280 66.430 10.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36270 ATOM 36266 OW SOL 1565 62.330 63.690 17.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36271 ATOM 36267 HW1 SOL 1565 62.690 63.510 18.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36272 ATOM 36268 HW2 SOL 1565 62.540 64.630 17.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36273 ATOM 36269 OW SOL 1566 61.000 64.640 6.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36274 ATOM 36270 HW1 SOL 1566 61.430 64.780 6.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36275 ATOM 36271 HW2 SOL 1566 60.450 65.440 7.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36276 ATOM 36272 OW SOL 1567 63.170 68.720 17.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36277 ATOM 36273 HW1 SOL 1567 64.040 69.170 17.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36278 ATOM 36274 HW2 SOL 1567 63.090 68.560 18.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36279 ATOM 36275 OW SOL 1568 59.240 69.210 11.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36280 ATOM 36276 HW1 SOL 1568 59.520 68.410 11.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36281 ATOM 36277 HW2 SOL 1568 59.710 69.200 10.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36282 ATOM 36278 OW SOL 1569 67.890 69.520 12.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36283 ATOM 36279 HW1 SOL 1569 67.200 70.210 12.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36284 ATOM 36280 HW2 SOL 1569 67.520 68.890 13.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36285 ATOM 36281 OW SOL 1570 58.020 56.880 13.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36286 ATOM 36282 HW1 SOL 1570 58.640 57.650 13.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36287 ATOM 36283 HW2 SOL 1570 57.940 56.340 14.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36288 ATOM 36284 OW SOL 1571 66.900 68.680 18.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36289 ATOM 36285 HW1 SOL 1571 67.720 68.300 18.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36290 ATOM 36286 HW2 SOL 1571 66.220 67.960 18.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36291 ATOM 36287 OW SOL 1572 56.270 71.800 4.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36292 ATOM 36288 HW1 SOL 1572 56.700 71.270 5.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36293 ATOM 36289 HW2 SOL 1572 55.280 71.860 5.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36294 ATOM 36290 OW SOL 1573 57.730 65.680 10.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36295 ATOM 36291 HW1 SOL 1573 58.030 66.000 11.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36296 ATOM 36292 HW2 SOL 1573 56.760 65.880 10.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36297 ATOM 36293 OW SOL 1574 60.310 63.720 3.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36298 ATOM 36294 HW1 SOL 1574 59.850 64.090 2.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36299 ATOM 36295 HW2 SOL 1574 61.250 64.060 3.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36300 ATOM 36296 OW SOL 1575 69.060 58.930 14.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36301 ATOM 36297 HW1 SOL 1575 68.770 58.370 13.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36302 ATOM 36298 HW2 SOL 1575 69.000 58.390 15.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36303 ATOM 36299 OW SOL 1576 56.590 60.500 5.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36304 ATOM 36300 HW1 SOL 1576 56.120 59.660 5.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36305 ATOM 36301 HW2 SOL 1576 56.480 61.170 6.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36306 ATOM 36302 OW SOL 1577 55.730 72.080 2.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36307 ATOM 36303 HW1 SOL 1577 56.160 72.190 2.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36308 ATOM 36304 HW2 SOL 1577 56.400 72.290 1.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36309 ATOM 36305 OW SOL 1578 69.760 65.310 3.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36310 ATOM 36306 HW1 SOL 1578 69.760 64.410 4.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36311 ATOM 36307 HW2 SOL 1578 70.590 65.810 4.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36312 ATOM 36308 OW SOL 1579 56.470 62.070 15.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36313 ATOM 36309 HW1 SOL 1579 57.450 62.260 15.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36314 ATOM 36310 HW2 SOL 1579 56.000 62.840 14.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36315 ATOM 36311 OW SOL 1580 61.440 68.320 7.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36316 ATOM 36312 HW1 SOL 1580 60.680 67.770 7.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36317 ATOM 36313 HW2 SOL 1580 61.580 68.160 6.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36318 ATOM 36314 OW SOL 1581 66.280 68.780 14.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36319 ATOM 36315 HW1 SOL 1581 65.970 67.860 15.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36320 ATOM 36316 HW2 SOL 1581 66.090 69.410 15.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36321 ATOM 36317 OW SOL 1582 61.050 55.720 4.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36322 ATOM 36318 HW1 SOL 1582 61.480 55.250 3.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36323 ATOM 36319 HW2 SOL 1582 60.130 55.360 4.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36324 ATOM 36320 OW SOL 1583 55.270 64.020 13.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36325 ATOM 36321 HW1 SOL 1583 55.610 63.340 12.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36326 ATOM 36322 HW2 SOL 1583 54.390 64.370 13.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36327 ATOM 36323 OW SOL 1584 70.880 65.220 0.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36328 ATOM 36324 HW1 SOL 1584 71.410 65.470 -0.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36329 ATOM 36325 HW2 SOL 1584 70.630 66.060 0.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36330 ATOM 36326 OW SOL 1585 60.100 59.770 16.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36331 ATOM 36327 HW1 SOL 1585 60.450 60.080 17.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36332 ATOM 36328 HW2 SOL 1585 59.130 59.560 16.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36333 ATOM 36329 OW SOL 1586 67.990 68.320 8.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36334 ATOM 36330 HW1 SOL 1586 68.770 68.780 8.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36335 ATOM 36331 HW2 SOL 1586 68.300 67.470 7.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36336 ATOM 36332 OW SOL 1587 2.310 0.320 6.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36337 ATOM 36333 HW1 SOL 1587 1.340 0.500 5.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36338 ATOM 36334 HW2 SOL 1587 2.630 0.900 6.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36339 ATOM 36335 OW SOL 1588 60.440 61.070 3.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36340 ATOM 36336 HW1 SOL 1588 60.600 62.050 3.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36341 ATOM 36337 HW2 SOL 1588 60.330 60.860 4.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36342 ATOM 36338 OW SOL 1589 67.780 58.140 9.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36343 ATOM 36339 HW1 SOL 1589 68.620 57.810 9.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36344 ATOM 36340 HW2 SOL 1589 67.680 57.710 10.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36345 ATOM 36341 OW SOL 1590 72.570 71.950 2.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36346 ATOM 36342 HW1 SOL 1590 72.960 72.790 2.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36347 ATOM 36343 HW2 SOL 1590 71.670 71.790 2.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36348 ATOM 36344 OW SOL 1591 62.440 61.260 14.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36349 ATOM 36345 HW1 SOL 1591 61.720 61.070 15.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36350 ATOM 36346 HW2 SOL 1591 62.270 60.760 14.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36351 ATOM 36347 OW SOL 1592 68.100 61.070 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36352 ATOM 36348 HW1 SOL 1592 68.130 61.050 16.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36353 ATOM 36349 HW2 SOL 1592 68.370 60.180 15.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36354 ATOM 36350 OW SOL 1593 65.370 66.150 15.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36355 ATOM 36351 HW1 SOL 1593 65.750 65.280 14.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36356 ATOM 36352 HW2 SOL 1593 64.770 66.510 14.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36357 ATOM 36353 OW SOL 1594 64.650 60.300 10.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36358 ATOM 36354 HW1 SOL 1594 64.070 60.030 10.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36359 ATOM 36355 HW2 SOL 1594 64.400 61.220 11.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36360 ATOM 36356 OW SOL 1595 64.960 59.000 3.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36361 ATOM 36357 HW1 SOL 1595 65.150 59.880 3.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36362 ATOM 36358 HW2 SOL 1595 64.190 58.560 3.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36363 ATOM 36359 OW SOL 1596 56.100 62.310 7.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36364 ATOM 36360 HW1 SOL 1596 55.380 62.980 7.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36365 ATOM 36361 HW2 SOL 1596 56.810 62.730 8.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36366 ATOM 36362 OW SOL 1597 55.970 1.000 15.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36367 ATOM 36363 HW1 SOL 1597 55.740 0.840 16.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36368 ATOM 36364 HW2 SOL 1597 55.720 0.190 14.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36369 ATOM 36365 OW SOL 1598 63.070 55.440 0.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36370 ATOM 36366 HW1 SOL 1598 62.970 56.430 0.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36371 ATOM 36367 HW2 SOL 1598 63.440 55.130 -0.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36372 ATOM 36368 OW SOL 1599 71.540 60.360 17.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36373 ATOM 36369 HW1 SOL 1599 71.290 61.320 17.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36374 ATOM 36370 HW2 SOL 1599 71.570 60.040 16.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36375 ATOM 36371 OW SOL 1600 68.180 67.440 3.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36376 ATOM 36372 HW1 SOL 1600 68.820 66.680 3.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36377 ATOM 36373 HW2 SOL 1600 68.130 67.750 4.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36378 ATOM 36374 OW SOL 1601 60.490 55.530 9.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36379 ATOM 36375 HW1 SOL 1601 60.130 55.390 10.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36380 ATOM 36376 HW2 SOL 1601 60.720 56.500 9.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36381 ATOM 36377 OW SOL 1602 66.040 70.090 4.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36382 ATOM 36378 HW1 SOL 1602 66.240 70.810 3.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36383 ATOM 36379 HW2 SOL 1602 65.070 69.850 4.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36384 ATOM 36380 OW SOL 1603 58.040 0.410 7.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36385 ATOM 36381 HW1 SOL 1603 58.870 0.230 7.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36386 ATOM 36382 HW2 SOL 1603 57.930 1.400 7.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36387 ATOM 36383 OW SOL 1604 70.290 68.530 9.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36388 ATOM 36384 HW1 SOL 1604 70.130 67.780 9.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36389 ATOM 36385 HW2 SOL 1604 70.960 69.160 9.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36390 ATOM 36386 OW SOL 1605 65.860 71.350 12.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36391 ATOM 36387 HW1 SOL 1605 65.180 70.620 12.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36392 ATOM 36388 HW2 SOL 1605 65.620 72.010 12.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36393 ATOM 36389 OW SOL 1606 58.630 65.320 2.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36394 ATOM 36390 HW1 SOL 1606 59.040 64.540 1.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36395 ATOM 36391 HW2 SOL 1606 57.760 65.040 2.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36396 ATOM 36392 OW SOL 1607 69.330 62.010 8.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36397 ATOM 36393 HW1 SOL 1607 68.780 62.250 8.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36398 ATOM 36394 HW2 SOL 1607 70.290 62.260 8.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36399 ATOM 36395 OW SOL 1608 61.250 70.800 18.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36400 ATOM 36396 HW1 SOL 1608 61.520 71.700 17.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36401 ATOM 36397 HW2 SOL 1608 61.440 70.100 17.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36402 ATOM 36398 OW SOL 1609 55.360 56.780 14.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36403 ATOM 36399 HW1 SOL 1609 55.170 57.360 14.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36404 ATOM 36400 HW2 SOL 1609 54.870 57.140 15.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36405 ATOM 36401 OW SOL 1610 70.110 57.200 8.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36406 ATOM 36402 HW1 SOL 1610 70.790 57.290 9.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36407 ATOM 36403 HW2 SOL 1610 70.320 57.860 7.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36408 ATOM 36404 OW SOL 1611 59.440 60.410 6.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36409 ATOM 36405 HW1 SOL 1611 59.640 59.440 6.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36410 ATOM 36406 HW2 SOL 1611 58.450 60.530 6.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36411 ATOM 36407 OW SOL 1612 68.670 57.370 16.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36412 ATOM 36408 HW1 SOL 1612 69.130 57.500 17.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36413 ATOM 36409 HW2 SOL 1612 68.060 56.580 16.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36414 ATOM 36410 OW SOL 1613 59.440 57.410 0.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36415 ATOM 36411 HW1 SOL 1613 59.760 56.630 0.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36416 ATOM 36412 HW2 SOL 1613 59.030 58.090 0.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36417 ATOM 36413 OW SOL 1614 62.850 58.610 19.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36418 ATOM 36414 HW1 SOL 1614 62.950 58.140 18.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36419 ATOM 36415 HW2 SOL 1614 62.770 57.920 19.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36420 ATOM 36416 OW SOL 1615 63.680 69.690 10.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36421 ATOM 36417 HW1 SOL 1615 63.510 68.880 9.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36422 ATOM 36418 HW2 SOL 1615 63.860 69.410 11.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36423 ATOM 36419 OW SOL 1616 66.790 63.240 15.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36424 ATOM 36420 HW1 SOL 1616 67.340 62.430 15.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36425 ATOM 36421 HW2 SOL 1616 67.380 63.990 14.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36426 ATOM 36422 OW SOL 1617 63.350 67.560 8.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36427 ATOM 36423 HW1 SOL 1617 64.130 67.410 8.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36428 ATOM 36424 HW2 SOL 1617 62.550 67.810 8.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36429 ATOM 36425 OW SOL 1618 63.580 59.070 7.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36430 ATOM 36426 HW1 SOL 1618 63.440 58.550 6.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36431 ATOM 36427 HW2 SOL 1618 64.460 58.820 7.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36432 ATOM 36428 OW SOL 1619 58.370 55.940 4.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36433 ATOM 36429 HW1 SOL 1619 57.910 55.360 4.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36434 ATOM 36430 HW2 SOL 1619 58.570 56.830 4.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36435 ATOM 36431 OW SOL 1620 68.200 65.020 0.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36436 ATOM 36432 HW1 SOL 1620 69.170 65.140 0.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36437 ATOM 36433 HW2 SOL 1620 67.710 64.750 0.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36438 ATOM 36434 OW SOL 1621 55.670 56.820 3.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36439 ATOM 36435 HW1 SOL 1621 56.060 55.930 2.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36440 ATOM 36436 HW2 SOL 1621 56.410 57.470 3.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36441 ATOM 36437 OW SOL 1622 64.800 55.460 4.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36442 ATOM 36438 HW1 SOL 1622 65.050 55.100 3.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36443 ATOM 36439 HW2 SOL 1622 64.070 56.130 4.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36444 ATOM 36440 OW SOL 1623 64.360 63.010 13.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36445 ATOM 36441 HW1 SOL 1623 63.710 62.440 14.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36446 ATOM 36442 HW2 SOL 1623 65.240 63.020 14.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36447 ATOM 36443 OW SOL 1624 68.930 0.600 6.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36448 ATOM 36444 HW1 SOL 1624 68.480 0.180 7.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36449 ATOM 36445 HW2 SOL 1624 69.510 -0.080 6.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36450 ATOM 36446 OW SOL 1625 59.400 66.870 8.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36451 ATOM 36447 HW1 SOL 1625 59.000 66.240 8.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36452 ATOM 36448 HW2 SOL 1625 58.680 67.430 7.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36453 ATOM 36449 OW SOL 1626 63.530 58.500 0.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36454 ATOM 36450 HW1 SOL 1626 63.450 58.820 0.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36455 ATOM 36451 HW2 SOL 1626 64.490 58.510 -0.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36456 ATOM 36452 OW SOL 1627 56.130 59.940 13.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36457 ATOM 36453 HW1 SOL 1627 57.110 60.010 13.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36458 ATOM 36454 HW2 SOL 1627 55.860 60.690 14.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36459 ATOM 36455 OW SOL 1628 59.200 54.940 11.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36460 ATOM 36456 HW1 SOL 1628 59.760 54.410 12.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36461 ATOM 36457 HW2 SOL 1628 58.700 55.650 12.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36462 ATOM 36458 OW SOL 1629 62.820 57.720 4.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36463 ATOM 36459 HW1 SOL 1629 62.470 58.330 4.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36464 ATOM 36460 HW2 SOL 1629 62.180 56.960 4.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36465 ATOM 36461 OW SOL 1630 67.040 56.790 5.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36466 ATOM 36462 HW1 SOL 1630 66.340 56.320 5.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36467 ATOM 36463 HW2 SOL 1630 66.660 57.010 6.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36468 ATOM 36464 OW SOL 1631 68.550 66.210 6.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36469 ATOM 36465 HW1 SOL 1631 69.140 66.060 5.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36470 ATOM 36466 HW2 SOL 1631 69.040 65.930 7.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36471 ATOM 36467 OW SOL 1632 68.230 60.610 10.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36472 ATOM 36468 HW1 SOL 1632 68.190 59.740 10.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36473 ATOM 36469 HW2 SOL 1632 69.150 60.760 11.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36474 ATOM 36470 OW SOL 1633 72.560 63.770 4.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36475 ATOM 36471 HW1 SOL 1633 73.070 63.150 4.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36476 ATOM 36472 HW2 SOL 1633 72.140 63.250 3.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36477 ATOM 36473 OW SOL 1634 59.670 67.570 3.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36478 ATOM 36474 HW1 SOL 1634 58.800 68.050 3.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36479 ATOM 36475 HW2 SOL 1634 59.710 66.800 3.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36480 ATOM 36476 OW SOL 1635 67.040 58.450 70.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36481 ATOM 36477 HW1 SOL 1635 67.100 58.770 71.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36482 ATOM 36478 HW2 SOL 1635 67.960 58.210 70.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36483 ATOM 36479 OW SOL 1636 58.330 58.210 3.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36484 ATOM 36480 HW1 SOL 1636 58.880 57.910 2.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36485 ATOM 36481 HW2 SOL 1636 58.120 59.180 2.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36486 ATOM 36482 OW SOL 1637 64.180 69.430 13.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36487 ATOM 36483 HW1 SOL 1637 63.450 70.020 13.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36488 ATOM 36484 HW2 SOL 1637 64.860 69.300 13.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36489 ATOM 36485 OW SOL 1638 69.810 68.870 15.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36490 ATOM 36486 HW1 SOL 1638 70.160 69.590 16.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36491 ATOM 36487 HW2 SOL 1638 69.240 69.280 14.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36492 ATOM 36488 OW SOL 1639 65.820 66.090 10.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36493 ATOM 36489 HW1 SOL 1639 66.660 66.640 10.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36494 ATOM 36490 HW2 SOL 1639 65.040 66.680 9.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36495 ATOM 36491 OW SOL 1640 69.990 66.440 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36496 ATOM 36492 HW1 SOL 1640 70.340 66.700 12.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36497 ATOM 36493 HW2 SOL 1640 69.060 66.090 11.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36498 ATOM 36494 OW SOL 1641 63.300 58.240 13.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36499 ATOM 36495 HW1 SOL 1641 63.570 57.670 12.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36500 ATOM 36496 HW2 SOL 1641 63.940 58.110 13.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36501 ATOM 36497 OW SOL 1642 65.140 66.330 18.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36502 ATOM 36498 HW1 SOL 1642 64.270 66.800 17.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36503 ATOM 36499 HW2 SOL 1642 65.520 66.080 17.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36504 ATOM 36500 OW SOL 1643 63.740 64.550 2.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36505 ATOM 36501 HW1 SOL 1643 64.530 64.090 1.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36506 ATOM 36502 HW2 SOL 1643 63.490 65.340 1.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36507 ATOM 36503 OW SOL 1644 59.550 63.110 12.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36508 ATOM 36504 HW1 SOL 1644 59.360 63.230 13.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36509 ATOM 36505 HW2 SOL 1644 59.270 62.190 11.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36510 ATOM 36506 OW SOL 1645 66.120 59.480 12.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36511 ATOM 36507 HW1 SOL 1645 66.810 60.200 12.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36512 ATOM 36508 HW2 SOL 1645 65.390 59.680 12.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36513 ATOM 36509 OW SOL 1646 56.830 70.750 11.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36514 ATOM 36510 HW1 SOL 1646 56.860 71.530 11.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36515 ATOM 36511 HW2 SOL 1646 57.540 70.090 11.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36516 ATOM 36512 OW SOL 1647 56.610 67.630 5.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36517 ATOM 36513 HW1 SOL 1647 56.750 68.270 5.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36518 ATOM 36514 HW2 SOL 1647 57.160 66.810 5.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36519 ATOM 36515 OW SOL 1648 60.880 58.280 9.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36520 ATOM 36516 HW1 SOL 1648 60.910 58.230 8.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36521 ATOM 36517 HW2 SOL 1648 61.270 59.150 9.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36522 ATOM 36518 OW SOL 1649 68.200 69.330 5.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36523 ATOM 36519 HW1 SOL 1649 68.260 68.910 6.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36524 ATOM 36520 HW2 SOL 1649 67.310 69.760 5.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36525 ATOM 36521 OW SOL 1650 69.990 70.810 12.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36526 ATOM 36522 HW1 SOL 1650 70.810 70.340 11.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36527 ATOM 36523 HW2 SOL 1650 69.280 70.140 12.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36528 ATOM 36524 OW SOL 1651 69.670 59.500 6.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36529 ATOM 36525 HW1 SOL 1651 68.970 59.310 6.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36530 ATOM 36526 HW2 SOL 1651 69.420 60.340 7.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36531 ATOM 36527 OW SOL 1652 60.000 71.910 12.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36532 ATOM 36528 HW1 SOL 1652 59.860 70.920 11.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36533 ATOM 36529 HW2 SOL 1652 60.840 72.170 11.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36534 ATOM 36530 OW SOL 1653 59.710 62.830 15.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36535 ATOM 36531 HW1 SOL 1653 59.920 61.870 15.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36536 ATOM 36532 HW2 SOL 1653 60.540 63.370 15.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36537 ATOM 36533 OW SOL 1654 71.130 63.090 16.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36538 ATOM 36534 HW1 SOL 1654 70.300 63.560 17.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36539 ATOM 36535 HW2 SOL 1654 71.210 63.200 15.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36540 ATOM 36536 OW SOL 1655 65.680 55.440 19.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36541 ATOM 36537 HW1 SOL 1655 65.830 55.840 18.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36542 ATOM 36538 HW2 SOL 1655 65.390 54.490 19.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36543 ATOM 36539 OW SOL 1656 58.110 57.310 17.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36544 ATOM 36540 HW1 SOL 1656 57.840 56.510 17.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36545 ATOM 36541 HW2 SOL 1656 57.730 58.130 17.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36546 ATOM 36542 OW SOL 1657 61.170 63.580 10.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36547 ATOM 36543 HW1 SOL 1657 60.570 63.390 11.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36548 ATOM 36544 HW2 SOL 1657 60.860 63.060 9.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36549 ATOM 36545 OW SOL 1658 66.890 62.880 10.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36550 ATOM 36546 HW1 SOL 1658 66.070 62.980 11.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36551 ATOM 36547 HW2 SOL 1658 67.270 61.960 10.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36552 ATOM 36548 OW SOL 1659 66.820 58.910 1.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36553 ATOM 36549 HW1 SOL 1659 67.670 58.870 1.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36554 ATOM 36550 HW2 SOL 1659 66.060 58.630 1.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36555 ATOM 36551 OW SOL 1660 56.420 57.170 11.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36556 ATOM 36552 HW1 SOL 1660 57.010 57.110 11.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36557 ATOM 36553 HW2 SOL 1660 56.440 56.310 10.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36558 ATOM 36554 OW SOL 1661 55.290 68.280 12.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36559 ATOM 36555 HW1 SOL 1661 55.750 67.660 12.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36560 ATOM 36556 HW2 SOL 1661 55.760 69.160 12.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36561 ATOM 36557 OW SOL 1662 62.410 60.440 9.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36562 ATOM 36558 HW1 SOL 1662 62.780 59.990 8.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36563 ATOM 36559 HW2 SOL 1662 61.820 61.200 8.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36564 ATOM 36560 OW SOL 1663 57.750 54.840 7.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36565 ATOM 36561 HW1 SOL 1663 57.870 55.480 6.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36566 ATOM 36562 HW2 SOL 1663 58.560 54.250 7.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36567 ATOM 36563 OW SOL 1664 71.790 61.550 72.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36568 ATOM 36564 HW1 SOL 1664 71.750 62.170 73.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36569 ATOM 36565 HW2 SOL 1664 70.920 61.580 71.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36570 ATOM 36566 OW SOL 1665 65.210 62.580 8.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36571 ATOM 36567 HW1 SOL 1665 64.730 61.740 8.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36572 ATOM 36568 HW2 SOL 1665 65.820 62.870 8.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36573 ATOM 36569 OW SOL 1666 65.410 70.250 17.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36574 ATOM 36570 HW1 SOL 1666 65.280 71.230 17.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36575 ATOM 36571 HW2 SOL 1666 66.150 69.900 17.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36576 ATOM 36572 OW SOL 1667 58.750 65.230 15.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36577 ATOM 36573 HW1 SOL 1667 59.450 65.600 16.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36578 ATOM 36574 HW2 SOL 1667 59.160 64.550 15.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36579 ATOM 36575 OW SOL 1668 69.990 57.590 72.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36580 ATOM 36576 HW1 SOL 1668 69.610 57.110 73.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36581 ATOM 36577 HW2 SOL 1668 70.830 58.050 72.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36582 ATOM 36578 OW SOL 1669 68.960 61.150 68.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36583 ATOM 36579 HW1 SOL 1669 68.100 60.850 67.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36584 ATOM 36580 HW2 SOL 1669 69.130 62.110 67.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36585 ATOM 36581 OW SOL 1670 65.580 67.390 7.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36586 ATOM 36582 HW1 SOL 1670 65.550 67.840 6.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36587 ATOM 36583 HW2 SOL 1670 66.380 67.730 7.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36588 ATOM 36584 OW SOL 1671 57.970 63.060 9.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36589 ATOM 36585 HW1 SOL 1671 58.280 63.970 9.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36590 ATOM 36586 HW2 SOL 1671 58.730 62.570 9.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36591 ATOM 36587 OW SOL 1672 58.880 60.060 9.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36592 ATOM 36588 HW1 SOL 1672 57.880 60.060 9.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36593 ATOM 36589 HW2 SOL 1672 59.230 59.180 9.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36594 ATOM 36590 OW SOL 1673 64.180 59.630 16.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36595 ATOM 36591 HW1 SOL 1673 63.570 60.210 15.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36596 ATOM 36592 HW2 SOL 1673 64.860 60.200 16.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36597 ATOM 36593 OW SOL 1674 65.510 57.660 14.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36598 ATOM 36594 HW1 SOL 1674 65.270 58.320 15.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36599 ATOM 36595 HW2 SOL 1674 65.860 58.140 14.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36600 ATOM 36596 OW SOL 1675 55.640 68.330 1.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36601 ATOM 36597 HW1 SOL 1675 55.220 68.830 0.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36602 ATOM 36598 HW2 SOL 1675 54.980 67.680 1.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36603 ATOM 36599 OW SOL 1676 60.710 72.350 7.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36604 ATOM 36600 HW1 SOL 1676 61.710 72.330 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36605 ATOM 36601 HW2 SOL 1676 60.330 72.290 8.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36606 ATOM 36602 OW SOL 1677 63.740 62.710 11.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36607 ATOM 36603 HW1 SOL 1677 63.910 62.870 12.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36608 ATOM 36604 HW2 SOL 1677 62.900 63.170 11.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36609 ATOM 36605 OW SOL 1678 56.420 62.160 11.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36610 ATOM 36606 HW1 SOL 1678 56.900 62.260 10.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36611 ATOM 36607 HW2 SOL 1678 56.420 61.190 11.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36612 ATOM 36608 OW SOL 1679 57.110 59.360 15.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36613 ATOM 36609 HW1 SOL 1679 56.700 58.710 15.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36614 ATOM 36610 HW2 SOL 1679 56.600 60.220 15.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36615 ATOM 36611 OW SOL 1680 68.920 64.610 16.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36616 ATOM 36612 HW1 SOL 1680 69.030 65.450 17.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36617 ATOM 36613 HW2 SOL 1680 69.140 64.790 16.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36618 ATOM 36614 OW SOL 1681 61.860 58.910 2.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36619 ATOM 36615 HW1 SOL 1681 61.370 58.140 2.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36620 ATOM 36616 HW2 SOL 1681 61.230 59.670 2.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36621 ATOM 36617 OW SOL 1682 58.490 72.170 16.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36622 ATOM 36618 HW1 SOL 1682 58.590 72.900 17.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36623 ATOM 36619 HW2 SOL 1682 57.620 72.280 15.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36624 ATOM 36620 OW SOL 1683 61.810 60.290 12.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36625 ATOM 36621 HW1 SOL 1683 62.350 59.480 12.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36626 ATOM 36622 HW2 SOL 1683 61.870 60.470 11.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36627 ATOM 36623 OW SOL 1684 57.810 61.260 3.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36628 ATOM 36624 HW1 SOL 1684 58.800 61.140 3.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36629 ATOM 36625 HW2 SOL 1684 57.380 60.990 3.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36630 ATOM 36626 OW SOL 1685 56.120 66.610 14.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36631 ATOM 36627 HW1 SOL 1685 56.380 66.660 15.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36632 ATOM 36628 HW2 SOL 1685 55.940 65.650 13.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36633 ATOM 36629 OW SOL 1686 67.750 65.070 11.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36634 ATOM 36630 HW1 SOL 1686 67.710 64.150 11.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36635 ATOM 36631 HW2 SOL 1686 66.900 65.550 11.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36636 ATOM 36632 OW SOL 1687 69.350 61.350 2.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36637 ATOM 36633 HW1 SOL 1687 68.530 61.610 2.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36638 ATOM 36634 HW2 SOL 1687 69.290 60.390 2.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36639 ATOM 36635 OW SOL 1688 72.220 69.880 10.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36640 ATOM 36636 HW1 SOL 1688 72.760 70.650 10.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36641 ATOM 36637 HW2 SOL 1688 72.830 69.120 11.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36642 ATOM 36638 OW SOL 1689 68.810 71.960 9.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36643 ATOM 36639 HW1 SOL 1689 68.810 72.950 10.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36644 ATOM 36640 HW2 SOL 1689 69.140 71.500 10.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36645 ATOM 36641 OW SOL 1690 54.870 66.280 10.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36646 ATOM 36642 HW1 SOL 1690 54.880 67.050 10.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36647 ATOM 36643 HW2 SOL 1690 54.220 66.470 9.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36648 ATOM 36644 OW SOL 1691 64.320 55.060 69.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36649 ATOM 36645 HW1 SOL 1691 64.290 56.060 69.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36650 ATOM 36646 HW2 SOL 1691 65.160 54.740 69.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36651 ATOM 36647 OW SOL 1692 72.330 0.710 5.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36652 ATOM 36648 HW1 SOL 1692 72.340 1.320 4.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36653 ATOM 36649 HW2 SOL 1692 71.570 0.060 5.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36654 ATOM 36650 OW SOL 1693 55.860 0.900 18.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36655 ATOM 36651 HW1 SOL 1693 55.950 0.030 18.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36656 ATOM 36652 HW2 SOL 1693 56.770 1.270 17.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36657 ATOM 36653 OW SOL 1694 69.590 62.910 5.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36658 ATOM 36654 HW1 SOL 1694 69.620 62.730 6.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36659 ATOM 36655 HW2 SOL 1694 69.360 62.060 4.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36660 ATOM 36656 OW SOL 1695 60.590 68.040 15.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36661 ATOM 36657 HW1 SOL 1695 60.960 67.540 16.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36662 ATOM 36658 HW2 SOL 1695 59.710 68.450 15.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36663 ATOM 36659 OW SOL 1696 60.160 70.060 0.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36664 ATOM 36660 HW1 SOL 1696 59.680 70.490 1.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36665 ATOM 36661 HW2 SOL 1696 60.060 69.070 0.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36666 ATOM 36662 OW SOL 1697 57.080 57.760 7.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36667 ATOM 36663 HW1 SOL 1697 56.150 57.940 7.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36668 ATOM 36664 HW2 SOL 1697 57.090 57.790 8.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36669 ATOM 36665 OW SOL 1698 66.590 71.220 2.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36670 ATOM 36666 HW1 SOL 1698 67.290 70.730 1.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36671 ATOM 36667 HW2 SOL 1698 65.700 71.060 1.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36672 ATOM 36668 OW SOL 1699 63.320 66.720 13.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36673 ATOM 36669 HW1 SOL 1699 63.040 66.360 12.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36674 ATOM 36670 HW2 SOL 1699 63.290 67.720 13.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36675 ATOM 36671 OW SOL 1700 64.610 61.190 1.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36676 ATOM 36672 HW1 SOL 1700 65.520 61.600 1.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36677 ATOM 36673 HW2 SOL 1700 64.610 60.390 1.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36678 ATOM 36674 OW SOL 1701 58.200 69.420 15.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36679 ATOM 36675 HW1 SOL 1701 57.860 68.840 16.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36680 ATOM 36676 HW2 SOL 1701 58.480 70.310 16.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36681 ATOM 36677 OW SOL 1702 66.390 65.820 4.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36682 ATOM 36678 HW1 SOL 1702 65.780 65.560 5.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36683 ATOM 36679 HW2 SOL 1702 67.230 66.210 5.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36684 ATOM 36680 OW SOL 1703 65.680 57.580 7.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36685 ATOM 36681 HW1 SOL 1703 65.280 56.710 8.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36686 ATOM 36682 HW2 SOL 1703 66.330 57.890 8.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36687 ATOM 36683 OW SOL 1704 62.180 67.370 4.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36688 ATOM 36684 HW1 SOL 1704 62.490 66.430 4.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36689 ATOM 36685 HW2 SOL 1704 61.400 67.530 4.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36690 ATOM 36686 OW SOL 1705 57.380 68.950 3.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36691 ATOM 36687 HW1 SOL 1705 56.750 68.600 2.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36692 ATOM 36688 HW2 SOL 1705 57.690 69.860 3.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36693 ATOM 36689 OW SOL 1706 56.520 66.340 16.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36694 ATOM 36690 HW1 SOL 1706 55.690 65.800 17.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36695 ATOM 36691 HW2 SOL 1706 57.240 65.770 16.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36696 ATOM 36692 OW SOL 1707 60.540 57.890 14.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36697 ATOM 36693 HW1 SOL 1707 61.510 57.840 13.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36698 ATOM 36694 HW2 SOL 1707 60.410 58.490 14.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36699 ATOM 36695 OW SOL 1708 55.680 59.930 71.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36700 ATOM 36696 HW1 SOL 1708 55.240 59.270 71.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36701 ATOM 36697 HW2 SOL 1708 55.130 60.770 71.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36702 ATOM 36698 OW SOL 1709 68.770 64.800 14.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36703 ATOM 36699 HW1 SOL 1709 68.320 64.870 13.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36704 ATOM 36700 HW2 SOL 1709 69.690 64.430 13.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36705 ATOM 36701 OW SOL 1710 54.540 59.100 1.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36706 ATOM 36702 HW1 SOL 1710 54.980 59.970 1.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36707 ATOM 36703 HW2 SOL 1710 55.080 58.620 2.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36708 ATOM 36704 OW SOL 1711 67.020 64.300 2.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36709 ATOM 36705 HW1 SOL 1711 66.330 64.510 3.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36710 ATOM 36706 HW2 SOL 1711 67.930 64.390 2.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36711 ATOM 36707 OW SOL 1712 61.840 64.690 14.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36712 ATOM 36708 HW1 SOL 1712 62.410 65.510 14.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36713 ATOM 36709 HW2 SOL 1712 62.420 63.880 14.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36714 ATOM 36710 OW SOL 1713 68.650 2.160 10.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36715 ATOM 36711 HW1 SOL 1713 69.580 2.120 10.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36716 ATOM 36712 HW2 SOL 1713 68.040 2.570 11.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36717 ATOM 36713 OW SOL 1714 61.340 60.900 18.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36718 ATOM 36714 HW1 SOL 1714 61.510 61.880 18.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36719 ATOM 36715 HW2 SOL 1714 62.190 60.420 18.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36720 ATOM 36716 OW SOL 1715 69.310 67.280 17.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36721 ATOM 36717 HW1 SOL 1715 70.130 67.360 18.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36722 ATOM 36718 HW2 SOL 1715 69.430 67.840 16.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36723 ATOM 36719 OW SOL 1716 72.180 64.360 10.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36724 ATOM 36720 HW1 SOL 1716 71.960 64.120 9.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36725 ATOM 36721 HW2 SOL 1716 71.560 65.080 11.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36726 ATOM 36722 OW SOL 1717 69.330 58.520 2.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36727 ATOM 36723 HW1 SOL 1717 70.090 57.920 3.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36728 ATOM 36724 HW2 SOL 1717 68.810 58.780 3.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36729 ATOM 36725 OW SOL 1718 60.550 62.090 8.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36730 ATOM 36726 HW1 SOL 1718 60.760 62.890 7.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36731 ATOM 36727 HW2 SOL 1718 60.250 61.330 7.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36732 ATOM 36728 OW SOL 1719 71.690 64.130 14.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36733 ATOM 36729 HW1 SOL 1719 71.740 65.100 13.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36734 ATOM 36730 HW2 SOL 1719 72.400 63.630 13.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36735 ATOM 36731 OW SOL 1720 63.940 66.950 0.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36736 ATOM 36732 HW1 SOL 1720 64.750 67.260 1.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36737 ATOM 36733 HW2 SOL 1720 63.360 67.740 0.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36738 ATOM 36734 OW SOL 1721 64.670 64.790 6.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36739 ATOM 36735 HW1 SOL 1721 64.990 64.120 7.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36740 ATOM 36736 HW2 SOL 1721 64.790 65.710 6.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36741 ATOM 36737 OW SOL 1722 67.210 61.810 0.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36742 ATOM 36738 HW1 SOL 1722 67.810 61.760 -0.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36743 ATOM 36739 HW2 SOL 1722 67.040 60.890 0.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36744 ATOM 36740 OW SOL 1723 72.220 71.100 7.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36745 ATOM 36741 HW1 SOL 1723 71.600 71.630 7.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36746 ATOM 36742 HW2 SOL 1723 71.950 71.200 8.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36747 ATOM 36743 OW SOL 1724 57.580 68.190 18.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36748 ATOM 36744 HW1 SOL 1724 57.160 67.380 17.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36749 ATOM 36745 HW2 SOL 1724 57.220 68.330 19.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36750 ATOM 36746 OW SOL 1725 53.990 68.210 6.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36751 ATOM 36747 HW1 SOL 1725 54.930 67.890 6.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36752 ATOM 36748 HW2 SOL 1725 53.760 68.830 5.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36753 ATOM 36749 OW SOL 1726 62.060 70.520 14.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36754 ATOM 36750 HW1 SOL 1726 61.600 71.400 14.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36755 ATOM 36751 HW2 SOL 1726 61.540 69.820 14.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36756 ATOM 36752 OW SOL 1727 1.560 58.970 11.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36757 ATOM 36753 HW1 SOL 1727 1.220 58.380 10.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36758 ATOM 36754 HW2 SOL 1727 0.970 59.780 11.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36759 ATOM 36755 OW SOL 1728 59.910 57.650 6.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36760 ATOM 36756 HW1 SOL 1728 59.800 57.020 5.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36761 ATOM 36757 HW2 SOL 1728 59.050 57.680 7.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36762 ATOM 36758 OW SOL 1729 59.050 59.970 12.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36763 ATOM 36759 HW1 SOL 1729 60.040 60.100 12.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36764 ATOM 36760 HW2 SOL 1729 58.800 59.770 11.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36765 ATOM 36761 OW SOL 1730 63.320 69.840 3.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36766 ATOM 36762 HW1 SOL 1730 63.030 70.780 4.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36767 ATOM 36763 HW2 SOL 1730 63.100 69.260 4.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36768 ATOM 36764 OW SOL 1731 67.920 57.620 12.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36769 ATOM 36765 HW1 SOL 1731 67.730 56.640 12.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36770 ATOM 36766 HW2 SOL 1731 67.060 58.120 12.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36771 ATOM 36767 OW SOL 1732 64.480 55.950 11.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36772 ATOM 36768 HW1 SOL 1732 63.890 55.230 11.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36773 ATOM 36769 HW2 SOL 1732 65.440 55.700 11.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36774 ATOM 36770 OW SOL 1733 62.790 64.750 4.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36775 ATOM 36771 HW1 SOL 1733 63.210 64.550 3.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36776 ATOM 36772 HW2 SOL 1733 63.480 64.680 5.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36777 ATOM 36773 OW SOL 1734 62.440 71.930 10.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36778 ATOM 36774 HW1 SOL 1734 63.050 72.710 10.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36779 ATOM 36775 HW2 SOL 1734 62.960 71.130 10.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36780 ATOM 36776 OW SOL 1735 68.370 55.250 0.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36781 ATOM 36777 HW1 SOL 1735 68.250 54.560 0.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36782 ATOM 36778 HW2 SOL 1735 67.530 55.320 1.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36783 ATOM 36779 OW SOL 1736 67.760 59.280 4.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36784 ATOM 36780 HW1 SOL 1736 67.060 60.000 4.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36785 ATOM 36781 HW2 SOL 1736 67.330 58.420 5.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36786 ATOM 36782 OW SOL 1737 71.070 57.570 11.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36787 ATOM 36783 HW1 SOL 1737 70.490 57.540 11.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36788 ATOM 36784 HW2 SOL 1737 71.820 56.920 11.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36789 ATOM 36785 OW SOL 1738 54.470 65.880 3.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36790 ATOM 36786 HW1 SOL 1738 54.610 65.440 2.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36791 ATOM 36787 HW2 SOL 1738 55.330 65.870 4.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36792 ATOM 36788 OW SOL 1739 57.000 59.570 19.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36793 ATOM 36789 HW1 SOL 1739 57.700 60.270 18.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36794 ATOM 36790 HW2 SOL 1739 56.180 59.870 18.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36795 ATOM 36791 OW SOL 1740 56.510 59.330 28.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36796 ATOM 36792 HW1 SOL 1740 56.730 58.720 29.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36797 ATOM 36793 HW2 SOL 1740 55.780 58.920 28.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36798 ATOM 36794 OW SOL 1741 54.670 59.800 25.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36799 ATOM 36795 HW1 SOL 1741 53.870 59.820 24.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36800 ATOM 36796 HW2 SOL 1741 55.500 59.760 24.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36801 ATOM 36797 OW SOL 1742 60.920 67.260 29.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36802 ATOM 36798 HW1 SOL 1742 61.130 67.120 30.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36803 ATOM 36799 HW2 SOL 1742 59.940 67.450 29.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36804 ATOM 36800 OW SOL 1743 71.820 70.020 26.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36805 ATOM 36801 HW1 SOL 1743 71.390 69.430 26.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36806 ATOM 36802 HW2 SOL 1743 71.470 69.790 25.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36807 ATOM 36803 OW SOL 1744 67.140 61.900 25.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36808 ATOM 36804 HW1 SOL 1744 67.290 62.890 25.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36809 ATOM 36805 HW2 SOL 1744 66.680 61.570 26.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36810 ATOM 36806 OW SOL 1745 0.640 60.030 19.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36811 ATOM 36807 HW1 SOL 1745 0.040 60.240 18.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36812 ATOM 36808 HW2 SOL 1745 0.240 59.300 19.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36813 ATOM 36809 OW SOL 1746 61.650 66.530 27.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36814 ATOM 36810 HW1 SOL 1746 61.400 66.870 28.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36815 ATOM 36811 HW2 SOL 1746 61.900 67.300 26.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36816 ATOM 36812 OW SOL 1747 63.840 61.320 36.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36817 ATOM 36813 HW1 SOL 1747 64.200 60.590 36.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36818 ATOM 36814 HW2 SOL 1747 64.540 62.030 36.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36819 ATOM 36815 OW SOL 1748 62.130 65.130 23.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36820 ATOM 36816 HW1 SOL 1748 62.230 64.730 24.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36821 ATOM 36817 HW2 SOL 1748 61.920 66.110 23.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36822 ATOM 36818 OW SOL 1749 60.860 67.330 37.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36823 ATOM 36819 HW1 SOL 1749 60.620 66.720 38.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36824 ATOM 36820 HW2 SOL 1749 60.150 67.280 37.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36825 ATOM 36821 OW SOL 1750 58.020 72.330 28.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36826 ATOM 36822 HW1 SOL 1750 58.610 72.680 29.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36827 ATOM 36823 HW2 SOL 1750 57.950 73.010 27.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36828 ATOM 36824 OW SOL 1751 67.510 67.980 32.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36829 ATOM 36825 HW1 SOL 1751 68.050 68.590 32.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36830 ATOM 36826 HW2 SOL 1751 66.560 68.290 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36831 ATOM 36827 OW SOL 1752 61.290 60.630 31.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36832 ATOM 36828 HW1 SOL 1752 61.910 60.090 32.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36833 ATOM 36829 HW2 SOL 1752 61.760 60.950 30.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36834 ATOM 36830 OW SOL 1753 65.680 69.690 34.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36835 ATOM 36831 HW1 SOL 1753 66.330 69.280 35.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36836 ATOM 36832 HW2 SOL 1753 65.190 70.430 35.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36837 ATOM 36833 OW SOL 1754 58.040 70.950 22.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36838 ATOM 36834 HW1 SOL 1754 58.770 70.650 22.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36839 ATOM 36835 HW2 SOL 1754 58.070 71.940 23.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36840 ATOM 36836 OW SOL 1755 59.260 67.660 25.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36841 ATOM 36837 HW1 SOL 1755 59.350 66.670 25.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36842 ATOM 36838 HW2 SOL 1755 59.560 68.140 25.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36843 ATOM 36839 OW SOL 1756 60.780 66.320 17.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36844 ATOM 36840 HW1 SOL 1756 60.640 67.160 17.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36845 ATOM 36841 HW2 SOL 1756 60.760 65.530 18.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36846 ATOM 36842 OW SOL 1757 71.800 57.620 37.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36847 ATOM 36843 HW1 SOL 1757 71.170 57.700 36.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36848 ATOM 36844 HW2 SOL 1757 71.750 58.450 37.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36849 ATOM 36845 OW SOL 1758 55.170 62.880 25.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36850 ATOM 36846 HW1 SOL 1758 54.500 62.390 25.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36851 ATOM 36847 HW2 SOL 1758 55.900 63.230 25.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36852 ATOM 36848 OW SOL 1759 56.160 71.260 19.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36853 ATOM 36849 HW1 SOL 1759 55.270 71.550 20.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36854 ATOM 36850 HW2 SOL 1759 56.450 70.430 20.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36855 ATOM 36851 OW SOL 1760 71.600 63.080 24.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36856 ATOM 36852 HW1 SOL 1760 72.340 63.660 23.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36857 ATOM 36853 HW2 SOL 1760 70.920 62.930 23.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36858 ATOM 36854 OW SOL 1761 58.140 62.170 35.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36859 ATOM 36855 HW1 SOL 1761 58.970 62.660 35.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36860 ATOM 36856 HW2 SOL 1761 57.420 62.820 36.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36861 ATOM 36857 OW SOL 1762 61.850 70.120 24.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36862 ATOM 36858 HW1 SOL 1762 61.530 69.350 23.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36863 ATOM 36859 HW2 SOL 1762 61.840 70.950 23.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36864 ATOM 36860 OW SOL 1763 64.810 64.800 33.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36865 ATOM 36861 HW1 SOL 1763 65.120 64.000 33.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36866 ATOM 36862 HW2 SOL 1763 64.520 65.510 33.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36867 ATOM 36863 OW SOL 1764 64.230 55.490 22.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36868 ATOM 36864 HW1 SOL 1764 64.760 56.310 21.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36869 ATOM 36865 HW2 SOL 1764 63.360 55.760 22.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36870 ATOM 36866 OW SOL 1765 58.120 66.130 31.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36871 ATOM 36867 HW1 SOL 1765 58.660 65.300 31.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36872 ATOM 36868 HW2 SOL 1765 58.040 66.670 30.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36873 ATOM 36869 OW SOL 1766 72.560 63.420 21.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36874 ATOM 36870 HW1 SOL 1766 71.590 63.180 21.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36875 ATOM 36871 HW2 SOL 1766 73.120 62.600 21.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36876 ATOM 36872 OW SOL 1767 57.340 58.670 37.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36877 ATOM 36873 HW1 SOL 1767 57.640 59.590 38.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36878 ATOM 36874 HW2 SOL 1767 57.180 58.640 36.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36879 ATOM 36875 OW SOL 1768 69.600 68.660 27.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36880 ATOM 36876 HW1 SOL 1768 69.440 68.840 28.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36881 ATOM 36877 HW2 SOL 1768 69.980 67.740 27.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36882 ATOM 36878 OW SOL 1769 71.330 72.260 27.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36883 ATOM 36879 HW1 SOL 1769 72.270 72.610 27.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36884 ATOM 36880 HW2 SOL 1769 71.310 71.380 27.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36885 ATOM 36881 OW SOL 1770 58.860 61.470 19.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36886 ATOM 36882 HW1 SOL 1770 59.770 61.310 19.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36887 ATOM 36883 HW2 SOL 1770 58.760 62.440 19.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36888 ATOM 36884 OW SOL 1771 67.200 58.940 26.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36889 ATOM 36885 HW1 SOL 1771 67.560 58.190 26.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36890 ATOM 36886 HW2 SOL 1771 66.790 59.630 26.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36891 ATOM 36887 OW SOL 1772 69.260 0.020 22.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36892 ATOM 36888 HW1 SOL 1772 70.030 0.550 21.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36893 ATOM 36889 HW2 SOL 1772 69.220 -0.860 21.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36894 ATOM 36890 OW SOL 1773 64.970 59.780 32.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36895 ATOM 36891 HW1 SOL 1773 64.160 59.880 33.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36896 ATOM 36892 HW2 SOL 1773 65.450 58.940 32.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36897 ATOM 36893 OW SOL 1774 70.800 59.790 34.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36898 ATOM 36894 HW1 SOL 1774 70.970 60.320 35.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36899 ATOM 36895 HW2 SOL 1774 70.280 58.970 34.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36900 ATOM 36896 OW SOL 1775 65.630 62.900 35.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36901 ATOM 36897 HW1 SOL 1775 66.130 62.530 34.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36902 ATOM 36898 HW2 SOL 1775 66.240 63.480 35.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36903 ATOM 36899 OW SOL 1776 65.370 57.760 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36904 ATOM 36900 HW1 SOL 1776 65.480 58.330 28.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36905 ATOM 36901 HW2 SOL 1776 65.660 56.820 29.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36906 ATOM 36902 OW SOL 1777 66.240 61.160 23.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36907 ATOM 36903 HW1 SOL 1777 66.350 61.580 23.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36908 ATOM 36904 HW2 SOL 1777 65.270 61.030 22.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36909 ATOM 36905 OW SOL 1778 56.820 64.020 27.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36910 ATOM 36906 HW1 SOL 1778 57.780 64.080 26.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36911 ATOM 36907 HW2 SOL 1778 56.420 64.930 27.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36912 ATOM 36908 OW SOL 1779 57.730 0.230 35.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36913 ATOM 36909 HW1 SOL 1779 58.430 -0.270 36.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36914 ATOM 36910 HW2 SOL 1779 57.740 -0.060 34.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36915 ATOM 36911 OW SOL 1780 65.560 59.660 19.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36916 ATOM 36912 HW1 SOL 1780 65.610 60.550 18.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36917 ATOM 36913 HW2 SOL 1780 64.760 59.170 18.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36918 ATOM 36914 OW SOL 1781 71.540 61.140 36.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36919 ATOM 36915 HW1 SOL 1781 71.800 62.080 36.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36920 ATOM 36916 HW2 SOL 1781 71.980 60.850 37.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36921 ATOM 36917 OW SOL 1782 71.700 66.910 24.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36922 ATOM 36918 HW1 SOL 1782 72.460 66.920 24.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36923 ATOM 36919 HW2 SOL 1782 71.000 67.560 24.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36924 ATOM 36920 OW SOL 1783 61.570 55.190 27.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36925 ATOM 36921 HW1 SOL 1783 61.370 55.940 27.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36926 ATOM 36922 HW2 SOL 1783 62.430 55.360 26.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36927 ATOM 36923 OW SOL 1784 67.380 68.800 21.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36928 ATOM 36924 HW1 SOL 1784 66.570 68.710 21.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36929 ATOM 36925 HW2 SOL 1784 67.220 69.520 22.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36930 ATOM 36926 OW SOL 1785 58.160 2.020 26.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36931 ATOM 36927 HW1 SOL 1785 58.850 1.530 26.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36932 ATOM 36928 HW2 SOL 1785 58.550 2.870 27.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36933 ATOM 36929 OW SOL 1786 0.950 65.790 28.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36934 ATOM 36930 HW1 SOL 1786 0.000 66.070 27.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36935 ATOM 36931 HW2 SOL 1786 0.950 65.020 28.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36936 ATOM 36932 OW SOL 1787 65.120 69.440 31.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36937 ATOM 36933 HW1 SOL 1787 65.560 69.900 32.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36938 ATOM 36934 HW2 SOL 1787 64.840 70.120 31.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36939 ATOM 36935 OW SOL 1788 59.520 65.060 20.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36940 ATOM 36936 HW1 SOL 1788 58.590 64.890 20.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36941 ATOM 36937 HW2 SOL 1788 60.170 64.510 20.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36942 ATOM 36938 OW SOL 1789 71.840 62.220 28.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36943 ATOM 36939 HW1 SOL 1789 70.850 62.200 28.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36944 ATOM 36940 HW2 SOL 1789 72.300 62.320 27.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36945 ATOM 36941 OW SOL 1790 59.750 71.450 36.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36946 ATOM 36942 HW1 SOL 1790 59.850 70.610 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36947 ATOM 36943 HW2 SOL 1790 60.430 72.120 36.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36948 ATOM 36944 OW SOL 1791 56.230 57.220 33.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36949 ATOM 36945 HW1 SOL 1791 55.310 57.550 33.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36950 ATOM 36946 HW2 SOL 1791 56.630 57.780 34.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36951 ATOM 36947 OW SOL 1792 68.820 55.960 23.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36952 ATOM 36948 HW1 SOL 1792 69.010 55.710 22.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36953 ATOM 36949 HW2 SOL 1792 69.600 55.700 23.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36954 ATOM 36950 OW SOL 1793 56.220 62.140 22.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36955 ATOM 36951 HW1 SOL 1793 56.510 61.260 23.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36956 ATOM 36952 HW2 SOL 1793 55.740 62.650 23.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36957 ATOM 36953 OW SOL 1794 69.760 57.470 35.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36958 ATOM 36954 HW1 SOL 1794 68.970 58.030 35.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36959 ATOM 36955 HW2 SOL 1794 69.510 56.890 34.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36960 ATOM 36956 OW SOL 1795 60.700 56.830 19.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36961 ATOM 36957 HW1 SOL 1795 61.470 56.330 18.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36962 ATOM 36958 HW2 SOL 1795 59.980 56.910 18.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36963 ATOM 36959 OW SOL 1796 62.780 57.370 35.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36964 ATOM 36960 HW1 SOL 1796 63.570 57.340 35.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36965 ATOM 36961 HW2 SOL 1796 62.080 56.730 35.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36966 ATOM 36962 OW SOL 1797 62.990 69.470 28.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36967 ATOM 36963 HW1 SOL 1797 62.940 69.400 27.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36968 ATOM 36964 HW2 SOL 1797 63.280 68.590 28.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36969 ATOM 36965 OW SOL 1798 68.640 59.700 32.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36970 ATOM 36966 HW1 SOL 1798 69.600 59.740 32.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36971 ATOM 36967 HW2 SOL 1798 68.120 60.400 32.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36972 ATOM 36968 OW SOL 1799 62.740 68.600 26.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36973 ATOM 36969 HW1 SOL 1799 63.680 68.410 25.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36974 ATOM 36970 HW2 SOL 1799 62.280 69.150 25.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36975 ATOM 36971 OW SOL 1800 63.340 59.490 26.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36976 ATOM 36972 HW1 SOL 1800 63.550 58.910 25.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36977 ATOM 36973 HW2 SOL 1800 62.400 59.320 26.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36978 ATOM 36974 OW SOL 1801 62.130 56.650 23.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36979 ATOM 36975 HW1 SOL 1801 61.440 56.710 24.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36980 ATOM 36976 HW2 SOL 1801 61.940 57.330 22.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36981 ATOM 36977 OW SOL 1802 71.020 66.360 20.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36982 ATOM 36978 HW1 SOL 1802 71.610 65.640 20.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36983 ATOM 36979 HW2 SOL 1802 70.080 66.200 20.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36984 ATOM 36980 OW SOL 1803 57.110 57.430 20.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36985 ATOM 36981 HW1 SOL 1803 57.100 58.000 19.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36986 ATOM 36982 HW2 SOL 1803 57.760 56.680 20.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36987 ATOM 36983 OW SOL 1804 66.030 57.790 22.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36988 ATOM 36984 HW1 SOL 1804 66.150 58.110 21.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36989 ATOM 36985 HW2 SOL 1804 66.850 57.990 22.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36990 ATOM 36986 OW SOL 1805 66.530 62.100 32.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36991 ATOM 36987 HW1 SOL 1805 65.830 61.470 32.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36992 ATOM 36988 HW2 SOL 1805 66.850 62.700 32.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36993 ATOM 36989 OW SOL 1806 67.880 68.350 25.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36994 ATOM 36990 HW1 SOL 1806 67.570 69.150 24.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36995 ATOM 36991 HW2 SOL 1806 68.430 68.650 26.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36996 ATOM 36992 OW SOL 1807 61.010 68.020 22.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36997 ATOM 36993 HW1 SOL 1807 60.270 67.790 23.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36998 ATOM 36994 HW2 SOL 1807 60.630 68.120 22.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
36999 ATOM 36995 OW SOL 1808 65.490 61.880 17.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37000 ATOM 36996 HW1 SOL 1808 65.800 62.040 16.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37001 ATOM 36997 HW2 SOL 1808 66.070 62.400 18.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37002 ATOM 36998 OW SOL 1809 57.740 62.060 32.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37003 ATOM 36999 HW1 SOL 1809 58.180 61.180 32.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37004 ATOM 37000 HW2 SOL 1809 57.630 62.190 33.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37005 ATOM 37001 OW SOL 1810 61.000 56.910 29.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37006 ATOM 37002 HW1 SOL 1810 61.450 57.000 30.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37007 ATOM 37003 HW2 SOL 1810 60.190 56.340 29.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37008 ATOM 37004 OW SOL 1811 64.960 57.920 24.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37009 ATOM 37005 HW1 SOL 1811 65.060 57.900 23.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37010 ATOM 37006 HW2 SOL 1811 65.850 58.050 25.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37011 ATOM 37007 OW SOL 1812 63.910 55.440 25.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37012 ATOM 37008 HW1 SOL 1812 64.550 54.820 25.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37013 ATOM 37009 HW2 SOL 1812 63.890 56.310 25.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37014 ATOM 37010 OW SOL 1813 70.690 66.220 27.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37015 ATOM 37011 HW1 SOL 1813 69.940 65.560 27.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37016 ATOM 37012 HW2 SOL 1813 71.170 66.130 26.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37017 ATOM 37013 OW SOL 1814 68.680 61.680 28.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37018 ATOM 37014 HW1 SOL 1814 69.120 61.440 27.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37019 ATOM 37015 HW2 SOL 1814 68.470 60.840 28.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37020 ATOM 37016 OW SOL 1815 0.820 59.710 24.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37021 ATOM 37017 HW1 SOL 1815 0.720 60.230 25.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37022 ATOM 37018 HW2 SOL 1815 1.400 58.910 24.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37023 ATOM 37019 OW SOL 1816 59.460 70.920 19.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37024 ATOM 37020 HW1 SOL 1816 58.560 70.570 19.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37025 ATOM 37021 HW2 SOL 1816 60.120 70.680 19.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37026 ATOM 37022 OW SOL 1817 68.500 60.650 18.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37027 ATOM 37023 HW1 SOL 1817 67.830 60.310 19.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37028 ATOM 37024 HW2 SOL 1817 69.180 59.940 18.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37029 ATOM 37025 OW SOL 1818 61.080 58.510 21.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37030 ATOM 37026 HW1 SOL 1818 60.880 57.970 20.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37031 ATOM 37027 HW2 SOL 1818 60.300 59.110 21.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37032 ATOM 37028 OW SOL 1819 64.310 67.430 29.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37033 ATOM 37029 HW1 SOL 1819 64.730 67.970 30.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37034 ATOM 37030 HW2 SOL 1819 63.810 66.660 30.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37035 ATOM 37031 OW SOL 1820 69.240 69.220 33.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37036 ATOM 37032 HW1 SOL 1820 69.410 68.900 34.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37037 ATOM 37033 HW2 SOL 1820 69.610 70.140 33.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37038 ATOM 37034 OW SOL 1821 66.310 68.270 28.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37039 ATOM 37035 HW1 SOL 1821 65.520 68.070 28.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37040 ATOM 37036 HW2 SOL 1821 66.080 68.080 27.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37041 ATOM 37037 OW SOL 1822 71.150 65.930 31.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37042 ATOM 37038 HW1 SOL 1822 70.670 65.160 31.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37043 ATOM 37039 HW2 SOL 1822 70.740 66.130 30.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37044 ATOM 37040 OW SOL 1823 65.550 53.550 31.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37045 ATOM 37041 HW1 SOL 1823 65.090 53.160 30.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37046 ATOM 37042 HW2 SOL 1823 65.600 54.550 31.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37047 ATOM 37043 OW SOL 1824 63.530 64.300 38.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37048 ATOM 37044 HW1 SOL 1824 62.780 64.720 39.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37049 ATOM 37045 HW2 SOL 1824 63.630 63.350 39.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37050 ATOM 37046 OW SOL 1825 61.120 63.560 21.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37051 ATOM 37047 HW1 SOL 1825 61.730 64.140 22.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37052 ATOM 37048 HW2 SOL 1825 61.640 63.050 20.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37053 ATOM 37049 OW SOL 1826 58.850 63.550 30.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37054 ATOM 37050 HW1 SOL 1826 58.670 63.020 31.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37055 ATOM 37051 HW2 SOL 1826 58.310 63.180 29.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37056 ATOM 37052 OW SOL 1827 68.070 59.400 29.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37057 ATOM 37053 HW1 SOL 1827 68.490 59.520 30.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37058 ATOM 37054 HW2 SOL 1827 67.130 59.070 29.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37059 ATOM 37055 OW SOL 1828 57.710 72.500 33.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37060 ATOM 37056 HW1 SOL 1828 57.210 72.730 32.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37061 ATOM 37057 HW2 SOL 1828 58.400 71.800 32.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37062 ATOM 37058 OW SOL 1829 59.940 67.970 20.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37063 ATOM 37059 HW1 SOL 1829 59.260 68.580 20.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37064 ATOM 37060 HW2 SOL 1829 59.740 67.030 20.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37065 ATOM 37061 OW SOL 1830 59.340 62.140 26.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37066 ATOM 37062 HW1 SOL 1830 59.290 62.290 25.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37067 ATOM 37063 HW2 SOL 1830 60.300 62.120 26.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37068 ATOM 37064 OW SOL 1831 70.200 69.760 24.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37069 ATOM 37065 HW1 SOL 1831 70.070 69.980 23.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37070 ATOM 37066 HW2 SOL 1831 69.320 69.500 24.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37071 ATOM 37067 OW SOL 1832 68.260 66.360 30.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37072 ATOM 37068 HW1 SOL 1832 67.870 66.960 31.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37073 ATOM 37069 HW2 SOL 1832 68.070 66.740 29.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37074 ATOM 37070 OW SOL 1833 71.020 58.310 23.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37075 ATOM 37071 HW1 SOL 1833 70.300 58.600 24.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37076 ATOM 37072 HW2 SOL 1833 71.890 58.720 24.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37077 ATOM 37073 OW SOL 1834 59.570 70.660 32.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37078 ATOM 37074 HW1 SOL 1834 59.110 70.000 31.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37079 ATOM 37075 HW2 SOL 1834 60.530 70.750 31.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37080 ATOM 37076 OW SOL 1835 61.280 63.450 35.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37081 ATOM 37077 HW1 SOL 1835 61.080 63.270 34.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37082 ATOM 37078 HW2 SOL 1835 62.240 63.260 36.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37083 ATOM 37079 OW SOL 1836 70.590 65.030 34.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37084 ATOM 37080 HW1 SOL 1836 69.760 65.600 34.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37085 ATOM 37081 HW2 SOL 1836 70.620 64.440 33.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37086 ATOM 37082 OW SOL 1837 65.070 57.220 36.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37087 ATOM 37083 HW1 SOL 1837 65.470 57.800 37.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37088 ATOM 37084 HW2 SOL 1837 65.460 56.310 36.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37089 ATOM 37085 OW SOL 1838 61.170 56.190 36.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37090 ATOM 37086 HW1 SOL 1838 60.340 55.740 36.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37091 ATOM 37087 HW2 SOL 1838 60.940 56.770 37.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37092 ATOM 37088 OW SOL 1839 61.490 62.960 29.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37093 ATOM 37089 HW1 SOL 1839 62.220 63.480 30.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37094 ATOM 37090 HW2 SOL 1839 60.620 63.120 30.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37095 ATOM 37091 OW SOL 1840 68.720 64.300 27.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37096 ATOM 37092 HW1 SOL 1840 68.180 64.550 26.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37097 ATOM 37093 HW2 SOL 1840 68.770 63.310 27.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37098 ATOM 37094 OW SOL 1841 68.340 60.760 21.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37099 ATOM 37095 HW1 SOL 1841 68.820 59.940 21.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37100 ATOM 37096 HW2 SOL 1841 67.520 60.900 22.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37101 ATOM 37097 OW SOL 1842 57.410 57.590 30.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37102 ATOM 37098 HW1 SOL 1842 56.970 57.280 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37103 ATOM 37099 HW2 SOL 1842 57.980 56.860 30.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37104 ATOM 37100 OW SOL 1843 57.310 69.840 29.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37105 ATOM 37101 HW1 SOL 1843 57.580 70.780 29.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37106 ATOM 37102 HW2 SOL 1843 57.080 69.780 30.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37107 ATOM 37103 OW SOL 1844 61.970 61.980 27.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37108 ATOM 37104 HW1 SOL 1844 62.210 61.010 27.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37109 ATOM 37105 HW2 SOL 1844 61.750 62.290 28.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37110 ATOM 37106 OW SOL 1845 59.970 57.010 25.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37111 ATOM 37107 HW1 SOL 1845 60.060 57.840 25.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37112 ATOM 37108 HW2 SOL 1845 59.490 56.310 25.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37113 ATOM 37109 OW SOL 1846 71.810 58.170 21.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37114 ATOM 37110 HW1 SOL 1846 72.050 57.200 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37115 ATOM 37111 HW2 SOL 1846 71.610 58.360 22.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37116 ATOM 37112 OW SOL 1847 65.350 60.680 27.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37117 ATOM 37113 HW1 SOL 1847 65.130 61.210 28.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37118 ATOM 37114 HW2 SOL 1847 64.510 60.360 27.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37119 ATOM 37115 OW SOL 1848 64.210 70.480 37.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37120 ATOM 37116 HW1 SOL 1848 63.450 71.110 37.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37121 ATOM 37117 HW2 SOL 1848 63.840 69.580 36.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37122 ATOM 37118 OW SOL 1849 59.980 64.360 38.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37123 ATOM 37119 HW1 SOL 1849 60.540 64.710 38.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37124 ATOM 37120 HW2 SOL 1849 60.550 63.830 37.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37125 ATOM 37121 OW SOL 1850 70.070 57.150 18.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37126 ATOM 37122 HW1 SOL 1850 69.470 56.540 19.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37127 ATOM 37123 HW2 SOL 1850 70.560 57.750 19.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37128 ATOM 37124 OW SOL 1851 67.430 63.120 19.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37129 ATOM 37125 HW1 SOL 1851 67.810 62.200 19.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37130 ATOM 37126 HW2 SOL 1851 67.940 63.610 18.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37131 ATOM 37127 OW SOL 1852 65.370 67.510 25.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37132 ATOM 37128 HW1 SOL 1852 65.250 66.690 24.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37133 ATOM 37129 HW2 SOL 1852 66.340 67.750 25.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37134 ATOM 37130 OW SOL 1853 59.270 64.820 25.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37135 ATOM 37131 HW1 SOL 1853 59.890 64.540 26.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37136 ATOM 37132 HW2 SOL 1853 59.320 64.160 24.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37137 ATOM 37133 OW SOL 1854 56.950 62.150 29.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37138 ATOM 37134 HW1 SOL 1854 57.020 61.190 28.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37139 ATOM 37135 HW2 SOL 1854 56.980 62.740 28.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37140 ATOM 37136 OW SOL 1855 66.260 57.480 33.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37141 ATOM 37137 HW1 SOL 1855 66.170 58.070 34.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37142 ATOM 37138 HW2 SOL 1855 67.210 57.180 33.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37143 ATOM 37139 OW SOL 1856 64.720 56.300 31.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37144 ATOM 37140 HW1 SOL 1856 65.280 56.620 32.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37145 ATOM 37141 HW2 SOL 1856 64.810 56.940 30.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37146 ATOM 37142 OW SOL 1857 52.730 67.160 18.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37147 ATOM 37143 HW1 SOL 1857 52.400 67.790 17.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37148 ATOM 37144 HW2 SOL 1857 53.330 66.470 18.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37149 ATOM 37145 OW SOL 1858 60.400 1.110 25.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37150 ATOM 37146 HW1 SOL 1858 60.040 1.310 24.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37151 ATOM 37147 HW2 SOL 1858 61.350 1.410 25.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37152 ATOM 37148 OW SOL 1859 64.540 61.830 30.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37153 ATOM 37149 HW1 SOL 1859 64.340 61.110 30.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37154 ATOM 37150 HW2 SOL 1859 65.050 62.560 30.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37155 ATOM 37151 OW SOL 1860 55.510 61.520 31.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37156 ATOM 37152 HW1 SOL 1860 56.120 61.390 30.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37157 ATOM 37153 HW2 SOL 1860 56.040 61.870 31.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37158 ATOM 37154 OW SOL 1861 57.060 58.990 35.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37159 ATOM 37155 HW1 SOL 1861 58.010 59.270 35.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37160 ATOM 37156 HW2 SOL 1861 56.470 59.800 35.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37161 ATOM 37157 OW SOL 1862 66.860 64.700 36.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37162 ATOM 37158 HW1 SOL 1862 66.430 65.230 37.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37163 ATOM 37159 HW2 SOL 1862 67.630 65.230 36.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37164 ATOM 37160 OW SOL 1863 63.630 60.310 21.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37165 ATOM 37161 HW1 SOL 1863 64.240 60.160 20.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37166 ATOM 37162 HW2 SOL 1863 62.880 59.650 21.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37167 ATOM 37163 OW SOL 1864 54.870 68.250 34.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37168 ATOM 37164 HW1 SOL 1864 55.690 68.780 34.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37169 ATOM 37165 HW2 SOL 1864 54.470 67.890 35.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37170 ATOM 37166 OW SOL 1865 60.830 58.960 27.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37171 ATOM 37167 HW1 SOL 1865 60.990 58.520 28.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37172 ATOM 37168 HW2 SOL 1865 59.880 59.280 27.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37173 ATOM 37169 OW SOL 1866 58.460 59.610 21.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37174 ATOM 37170 HW1 SOL 1866 58.630 60.450 21.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37175 ATOM 37171 HW2 SOL 1866 57.820 59.030 21.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37176 ATOM 37172 OW SOL 1867 59.530 67.180 33.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37177 ATOM 37173 HW1 SOL 1867 59.430 66.750 34.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37178 ATOM 37174 HW2 SOL 1867 58.820 66.840 33.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37179 ATOM 37175 OW SOL 1868 67.970 63.540 30.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37180 ATOM 37176 HW1 SOL 1868 68.200 62.940 29.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37181 ATOM 37177 HW2 SOL 1868 68.190 64.490 30.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37182 ATOM 37178 OW SOL 1869 69.810 63.130 22.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37183 ATOM 37179 HW1 SOL 1869 69.310 62.320 21.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37184 ATOM 37180 HW2 SOL 1869 69.240 63.940 21.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37185 ATOM 37181 OW SOL 1870 1.470 0.180 28.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37186 ATOM 37182 HW1 SOL 1870 2.260 -0.380 28.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37187 ATOM 37183 HW2 SOL 1870 1.130 -0.080 29.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37188 ATOM 37184 OW SOL 1871 67.060 70.670 28.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37189 ATOM 37185 HW1 SOL 1871 68.050 70.820 28.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37190 ATOM 37186 HW2 SOL 1871 66.880 69.710 28.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37191 ATOM 37187 OW SOL 1872 57.930 67.320 29.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37192 ATOM 37188 HW1 SOL 1872 57.850 68.310 29.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37193 ATOM 37189 HW2 SOL 1872 57.140 66.950 28.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37194 ATOM 37190 OW SOL 1873 68.880 0.540 24.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37195 ATOM 37191 HW1 SOL 1873 69.080 0.530 23.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37196 ATOM 37192 HW2 SOL 1873 68.970 1.480 24.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37197 ATOM 37193 OW SOL 1874 55.330 71.620 36.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37198 ATOM 37194 HW1 SOL 1874 56.120 72.200 35.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37199 ATOM 37195 HW2 SOL 1874 55.640 70.720 36.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37200 ATOM 37196 OW SOL 1875 67.500 64.480 25.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37201 ATOM 37197 HW1 SOL 1875 68.160 64.430 24.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37202 ATOM 37198 HW2 SOL 1875 66.630 64.830 24.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37203 ATOM 37199 OW SOL 1876 61.750 66.870 32.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37204 ATOM 37200 HW1 SOL 1876 62.440 67.310 33.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37205 ATOM 37201 HW2 SOL 1876 60.860 66.910 32.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37206 ATOM 37202 OW SOL 1877 63.200 70.620 20.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37207 ATOM 37203 HW1 SOL 1877 62.530 70.630 19.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37208 ATOM 37204 HW2 SOL 1877 62.910 71.270 21.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37209 ATOM 37205 OW SOL 1878 58.310 59.750 26.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37210 ATOM 37206 HW1 SOL 1878 58.620 60.680 26.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37211 ATOM 37207 HW2 SOL 1878 57.670 59.750 27.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37212 ATOM 37208 OW SOL 1879 69.740 70.030 21.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37213 ATOM 37209 HW1 SOL 1879 68.950 69.440 21.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37214 ATOM 37210 HW2 SOL 1879 70.510 69.670 20.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37215 ATOM 37211 OW SOL 1880 62.740 64.600 31.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37216 ATOM 37212 HW1 SOL 1880 63.630 64.640 31.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37217 ATOM 37213 HW2 SOL 1880 62.160 65.340 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37218 ATOM 37214 OW SOL 1881 63.530 62.800 20.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37219 ATOM 37215 HW1 SOL 1881 64.140 63.590 20.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37220 ATOM 37216 HW2 SOL 1881 63.770 62.100 20.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37221 ATOM 37217 OW SOL 1882 59.920 69.740 34.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37222 ATOM 37218 HW1 SOL 1882 59.930 70.230 33.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37223 ATOM 37219 HW2 SOL 1882 59.930 68.750 34.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37224 ATOM 37220 OW SOL 1883 64.990 65.030 24.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37225 ATOM 37221 HW1 SOL 1883 64.140 64.920 24.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37226 ATOM 37222 HW2 SOL 1883 64.800 64.840 23.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37227 ATOM 37223 OW SOL 1884 65.420 55.370 28.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37228 ATOM 37224 HW1 SOL 1884 64.930 55.130 27.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37229 ATOM 37225 HW2 SOL 1884 66.270 54.830 28.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37230 ATOM 37226 OW SOL 1885 62.320 72.410 22.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37231 ATOM 37227 HW1 SOL 1885 61.640 73.060 22.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37232 ATOM 37228 HW2 SOL 1885 62.860 72.860 23.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37233 ATOM 37229 OW SOL 1886 56.520 68.980 21.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37234 ATOM 37230 HW1 SOL 1886 55.960 68.190 21.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37235 ATOM 37231 HW2 SOL 1886 56.690 69.550 22.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37236 ATOM 37232 OW SOL 1887 58.680 65.990 36.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37237 ATOM 37233 HW1 SOL 1887 57.740 65.660 36.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37238 ATOM 37234 HW2 SOL 1887 59.130 65.410 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37239 ATOM 37235 OW SOL 1888 62.110 56.520 32.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37240 ATOM 37236 HW1 SOL 1888 62.900 56.130 32.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37241 ATOM 37237 HW2 SOL 1888 62.400 56.960 33.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37242 ATOM 37238 OW SOL 1889 54.610 60.110 17.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37243 ATOM 37239 HW1 SOL 1889 54.190 60.770 17.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37244 ATOM 37240 HW2 SOL 1889 54.260 59.200 17.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37245 ATOM 37241 OW SOL 1890 70.540 63.520 32.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37246 ATOM 37242 HW1 SOL 1890 69.720 63.490 31.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37247 ATOM 37243 HW2 SOL 1890 71.180 62.820 31.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37248 ATOM 37244 OW SOL 1891 54.590 58.930 20.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37249 ATOM 37245 HW1 SOL 1891 54.770 59.860 20.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37250 ATOM 37246 HW2 SOL 1891 55.160 58.280 20.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37251 ATOM 37247 OW SOL 1892 68.550 65.820 21.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37252 ATOM 37248 HW1 SOL 1892 67.690 65.770 20.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37253 ATOM 37249 HW2 SOL 1892 68.510 66.540 22.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37254 ATOM 37250 OW SOL 1893 60.760 62.990 33.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37255 ATOM 37251 HW1 SOL 1893 61.390 63.490 32.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37256 ATOM 37252 HW2 SOL 1893 60.490 62.140 32.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37257 ATOM 37253 OW SOL 1894 69.580 71.510 29.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37258 ATOM 37254 HW1 SOL 1894 70.210 71.960 29.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37259 ATOM 37255 HW2 SOL 1894 69.960 70.640 30.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37260 ATOM 37256 OW SOL 1895 62.860 59.900 34.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37261 ATOM 37257 HW1 SOL 1895 63.040 60.490 34.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37262 ATOM 37258 HW2 SOL 1895 62.620 58.990 34.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37263 ATOM 37259 OW SOL 1896 68.390 66.420 34.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37264 ATOM 37260 HW1 SOL 1896 67.900 67.000 35.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37265 ATOM 37261 HW2 SOL 1896 68.280 66.800 33.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37266 ATOM 37262 OW SOL 1897 0.870 64.710 30.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37267 ATOM 37263 HW1 SOL 1897 0.520 63.770 30.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37268 ATOM 37264 HW2 SOL 1897 0.130 65.340 31.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37269 ATOM 37265 OW SOL 1898 68.290 58.410 23.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37270 ATOM 37266 HW1 SOL 1898 68.600 57.490 23.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37271 ATOM 37267 HW2 SOL 1898 67.880 58.390 24.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37272 ATOM 37268 OW SOL 1899 59.130 63.080 23.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37273 ATOM 37269 HW1 SOL 1899 59.880 63.180 22.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37274 ATOM 37270 HW2 SOL 1899 58.270 62.940 23.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37275 ATOM 37271 OW SOL 1900 72.300 68.080 32.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37276 ATOM 37272 HW1 SOL 1900 73.140 67.570 32.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37277 ATOM 37273 HW2 SOL 1900 71.540 67.440 33.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37278 ATOM 37274 OW SOL 1901 65.970 71.090 20.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37279 ATOM 37275 HW1 SOL 1901 64.980 71.100 20.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37280 ATOM 37276 HW2 SOL 1901 66.220 70.310 19.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37281 ATOM 37277 OW SOL 1902 62.550 64.460 25.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37282 ATOM 37278 HW1 SOL 1902 62.410 63.630 26.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37283 ATOM 37279 HW2 SOL 1902 62.550 65.250 26.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37284 ATOM 37280 OW SOL 1903 65.780 64.830 20.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37285 ATOM 37281 HW1 SOL 1903 65.330 65.500 19.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37286 ATOM 37282 HW2 SOL 1903 66.380 64.240 19.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37287 ATOM 37283 OW SOL 1904 1.480 68.980 27.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37288 ATOM 37284 HW1 SOL 1904 0.800 69.120 26.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37289 ATOM 37285 HW2 SOL 1904 1.010 68.760 28.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37290 ATOM 37286 OW SOL 1905 57.110 69.380 36.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37291 ATOM 37287 HW1 SOL 1905 58.060 69.330 36.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37292 ATOM 37288 HW2 SOL 1905 57.070 69.090 37.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37293 ATOM 37289 OW SOL 1906 56.890 68.920 24.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37294 ATOM 37290 HW1 SOL 1906 57.640 68.290 24.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37295 ATOM 37291 HW2 SOL 1906 57.270 69.820 24.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37296 ATOM 37292 OW SOL 1907 63.790 67.610 34.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37297 ATOM 37293 HW1 SOL 1907 63.620 67.530 35.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37298 ATOM 37294 HW2 SOL 1907 64.460 68.340 34.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37299 ATOM 37295 OW SOL 1908 0.280 59.050 32.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37300 ATOM 37296 HW1 SOL 1908 -0.390 59.490 33.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37301 ATOM 37297 HW2 SOL 1908 1.070 59.650 32.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37302 ATOM 37298 OW SOL 1909 57.020 59.830 24.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37303 ATOM 37299 HW1 SOL 1909 57.540 59.410 23.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37304 ATOM 37300 HW2 SOL 1909 57.590 59.880 24.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37305 ATOM 37301 OW SOL 1910 58.730 59.720 32.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37306 ATOM 37302 HW1 SOL 1910 59.610 59.910 31.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37307 ATOM 37303 HW2 SOL 1910 58.310 58.920 31.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37308 ATOM 37304 OW SOL 1911 64.520 71.300 25.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37309 ATOM 37305 HW1 SOL 1911 64.230 72.150 25.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37310 ATOM 37306 HW2 SOL 1911 63.750 70.920 24.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37311 ATOM 37307 OW SOL 1912 68.990 57.540 28.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37312 ATOM 37308 HW1 SOL 1912 69.170 56.710 28.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37313 ATOM 37309 HW2 SOL 1912 68.600 58.240 28.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37314 ATOM 37310 OW SOL 1913 67.810 53.650 28.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37315 ATOM 37311 HW1 SOL 1913 67.170 52.960 28.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37316 ATOM 37312 HW2 SOL 1913 68.410 53.240 29.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37317 ATOM 37313 OW SOL 1914 63.160 67.860 20.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37318 ATOM 37314 HW1 SOL 1914 62.270 67.850 20.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37319 ATOM 37315 HW2 SOL 1914 63.620 68.730 20.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37320 ATOM 37316 OW SOL 1915 62.120 70.270 31.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37321 ATOM 37317 HW1 SOL 1915 62.950 70.170 31.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37322 ATOM 37318 HW2 SOL 1915 62.270 69.900 30.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37323 ATOM 37319 OW SOL 1916 68.300 55.550 20.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37324 ATOM 37320 HW1 SOL 1916 68.350 54.590 20.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37325 ATOM 37321 HW2 SOL 1916 67.370 55.760 20.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37326 ATOM 37322 OW SOL 1917 69.950 61.080 25.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37327 ATOM 37323 HW1 SOL 1917 69.080 61.190 25.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37328 ATOM 37324 HW2 SOL 1917 70.670 61.540 25.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37329 ATOM 37325 OW SOL 1918 71.010 58.980 26.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37330 ATOM 37326 HW1 SOL 1918 70.320 58.500 27.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37331 ATOM 37327 HW2 SOL 1918 70.600 59.800 26.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37332 ATOM 37328 OW SOL 1919 55.400 66.540 21.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37333 ATOM 37329 HW1 SOL 1919 56.120 65.880 21.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37334 ATOM 37330 HW2 SOL 1919 54.530 66.060 21.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37335 ATOM 37331 OW SOL 1920 57.930 61.220 38.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37336 ATOM 37332 HW1 SOL 1920 57.290 61.710 38.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37337 ATOM 37333 HW2 SOL 1920 57.720 61.420 37.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37338 ATOM 37334 OW SOL 1921 57.530 57.350 45.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37339 ATOM 37335 HW1 SOL 1921 58.250 57.390 45.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37340 ATOM 37336 HW2 SOL 1921 56.660 57.140 45.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37341 ATOM 37337 OW SOL 1922 53.720 60.120 42.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37342 ATOM 37338 HW1 SOL 1922 53.080 59.780 43.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37343 ATOM 37339 HW2 SOL 1922 54.160 59.340 42.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37344 ATOM 37340 OW SOL 1923 57.600 70.220 48.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37345 ATOM 37341 HW1 SOL 1923 57.450 69.640 49.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37346 ATOM 37342 HW2 SOL 1923 57.660 69.650 47.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37347 ATOM 37343 OW SOL 1924 69.250 67.760 41.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37348 ATOM 37344 HW1 SOL 1924 69.510 67.670 42.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37349 ATOM 37345 HW2 SOL 1924 69.890 68.380 41.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37350 ATOM 37346 OW SOL 1925 67.180 61.310 44.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37351 ATOM 37347 HW1 SOL 1925 66.960 62.250 43.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37352 ATOM 37348 HW2 SOL 1925 66.360 60.740 44.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37353 ATOM 37349 OW SOL 1926 0.040 60.660 39.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37354 ATOM 37350 HW1 SOL 1926 0.510 59.890 39.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37355 ATOM 37351 HW2 SOL 1926 0.720 61.280 38.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37356 ATOM 37352 OW SOL 1927 57.960 68.060 47.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37357 ATOM 37353 HW1 SOL 1927 57.020 67.730 47.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37358 ATOM 37354 HW2 SOL 1927 58.380 67.810 46.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37359 ATOM 37355 OW SOL 1928 65.720 63.270 52.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37360 ATOM 37356 HW1 SOL 1928 66.690 63.510 53.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37361 ATOM 37357 HW2 SOL 1928 65.180 64.010 53.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37362 ATOM 37358 OW SOL 1929 61.970 64.730 44.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37363 ATOM 37359 HW1 SOL 1929 62.690 64.880 45.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37364 ATOM 37360 HW2 SOL 1929 61.110 65.110 44.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37365 ATOM 37361 OW SOL 1930 62.210 66.920 55.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37366 ATOM 37362 HW1 SOL 1930 62.570 67.820 55.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37367 ATOM 37363 HW2 SOL 1930 61.470 67.040 54.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37368 ATOM 37364 OW SOL 1931 58.270 70.580 43.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37369 ATOM 37365 HW1 SOL 1931 57.370 70.360 43.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37370 ATOM 37366 HW2 SOL 1931 58.750 69.730 43.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37371 ATOM 37367 OW SOL 1932 69.610 69.540 52.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37372 ATOM 37368 HW1 SOL 1932 68.820 69.860 52.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37373 ATOM 37369 HW2 SOL 1932 69.300 69.210 51.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37374 ATOM 37370 OW SOL 1933 59.500 56.560 51.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37375 ATOM 37371 HW1 SOL 1933 60.120 57.330 51.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37376 ATOM 37372 HW2 SOL 1933 59.560 55.910 52.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37377 ATOM 37373 OW SOL 1934 65.660 66.410 52.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37378 ATOM 37374 HW1 SOL 1934 66.630 66.210 52.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37379 ATOM 37375 HW2 SOL 1934 65.130 65.650 51.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37380 ATOM 37376 OW SOL 1935 55.810 69.500 40.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37381 ATOM 37377 HW1 SOL 1935 56.080 70.460 40.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37382 ATOM 37378 HW2 SOL 1935 55.800 69.040 41.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37383 ATOM 37379 OW SOL 1936 57.120 65.000 46.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37384 ATOM 37380 HW1 SOL 1936 57.460 64.140 46.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37385 ATOM 37381 HW2 SOL 1936 56.600 65.470 46.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37386 ATOM 37382 OW SOL 1937 60.900 65.880 40.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37387 ATOM 37383 HW1 SOL 1937 61.700 66.330 40.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37388 ATOM 37384 HW2 SOL 1937 60.240 65.680 40.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37389 ATOM 37385 OW SOL 1938 70.450 56.450 51.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37390 ATOM 37386 HW1 SOL 1938 70.380 57.290 51.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37391 ATOM 37387 HW2 SOL 1938 69.720 55.820 51.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37392 ATOM 37388 OW SOL 1939 55.670 62.170 42.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37393 ATOM 37389 HW1 SOL 1939 55.050 61.400 42.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37394 ATOM 37390 HW2 SOL 1939 55.450 62.890 43.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37395 ATOM 37391 OW SOL 1940 52.580 1.390 38.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37396 ATOM 37392 HW1 SOL 1940 51.930 0.670 38.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37397 ATOM 37393 HW2 SOL 1940 53.500 1.000 39.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37398 ATOM 37394 OW SOL 1941 72.350 66.660 40.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37399 ATOM 37395 HW1 SOL 1941 71.600 66.190 40.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37400 ATOM 37396 HW2 SOL 1941 72.360 67.620 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37401 ATOM 37397 OW SOL 1942 56.970 61.340 52.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37402 ATOM 37398 HW1 SOL 1942 56.820 62.230 53.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37403 ATOM 37399 HW2 SOL 1942 57.090 61.460 51.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37404 ATOM 37400 OW SOL 1943 61.520 67.830 44.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37405 ATOM 37401 HW1 SOL 1943 60.840 67.140 44.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37406 ATOM 37402 HW2 SOL 1943 62.410 67.390 44.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37407 ATOM 37403 OW SOL 1944 69.060 68.210 49.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37408 ATOM 37404 HW1 SOL 1944 70.010 67.910 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37409 ATOM 37405 HW2 SOL 1944 68.570 67.980 49.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37410 ATOM 37406 OW SOL 1945 62.590 55.170 42.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37411 ATOM 37407 HW1 SOL 1945 63.530 55.440 42.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37412 ATOM 37408 HW2 SOL 1945 61.960 55.820 42.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37413 ATOM 37409 OW SOL 1946 54.920 63.720 49.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37414 ATOM 37410 HW1 SOL 1946 55.750 63.190 50.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37415 ATOM 37411 HW2 SOL 1946 55.130 64.430 49.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37416 ATOM 37412 OW SOL 1947 70.560 65.550 38.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37417 ATOM 37413 HW1 SOL 1947 70.220 66.470 38.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37418 ATOM 37414 HW2 SOL 1947 69.790 64.910 38.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37419 ATOM 37415 OW SOL 1948 58.560 58.170 55.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37420 ATOM 37416 HW1 SOL 1948 57.860 57.980 54.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37421 ATOM 37417 HW2 SOL 1948 58.830 57.310 55.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37422 ATOM 37418 OW SOL 1949 70.960 68.280 43.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37423 ATOM 37419 HW1 SOL 1949 71.930 68.040 43.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37424 ATOM 37420 HW2 SOL 1949 70.630 68.010 44.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37425 ATOM 37421 OW SOL 1950 69.820 70.830 43.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37426 ATOM 37422 HW1 SOL 1950 69.890 71.440 43.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37427 ATOM 37423 HW2 SOL 1950 70.450 70.060 43.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37428 ATOM 37424 OW SOL 1951 61.690 61.290 43.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37429 ATOM 37425 HW1 SOL 1951 60.710 61.280 42.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37430 ATOM 37426 HW2 SOL 1951 62.040 62.220 42.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37431 ATOM 37427 OW SOL 1952 70.790 58.700 46.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37432 ATOM 37428 HW1 SOL 1952 70.870 57.710 46.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37433 ATOM 37429 HW2 SOL 1952 71.430 59.090 46.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37434 ATOM 37430 OW SOL 1953 71.320 1.820 40.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37435 ATOM 37431 HW1 SOL 1953 71.130 2.220 41.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37436 ATOM 37432 HW2 SOL 1953 72.290 1.950 40.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37437 ATOM 37433 OW SOL 1954 63.390 60.630 49.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37438 ATOM 37434 HW1 SOL 1954 63.350 59.930 50.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37439 ATOM 37435 HW2 SOL 1954 63.540 60.190 49.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37440 ATOM 37436 OW SOL 1955 69.550 60.740 53.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37441 ATOM 37437 HW1 SOL 1955 69.860 59.790 53.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37442 ATOM 37438 HW2 SOL 1955 68.580 60.790 53.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37443 ATOM 37439 OW SOL 1956 63.210 64.970 51.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37444 ATOM 37440 HW1 SOL 1956 63.740 64.310 51.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37445 ATOM 37441 HW2 SOL 1956 62.330 65.120 51.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37446 ATOM 37442 OW SOL 1957 66.590 58.680 46.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37447 ATOM 37443 HW1 SOL 1957 65.780 58.440 47.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37448 ATOM 37444 HW2 SOL 1957 66.800 57.930 46.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37449 ATOM 37445 OW SOL 1958 65.500 60.780 40.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37450 ATOM 37446 HW1 SOL 1958 65.420 60.150 41.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37451 ATOM 37447 HW2 SOL 1958 64.600 61.120 40.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37452 ATOM 37448 OW SOL 1959 54.680 64.070 44.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37453 ATOM 37449 HW1 SOL 1959 55.530 64.520 44.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37454 ATOM 37450 HW2 SOL 1959 54.200 63.760 45.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37455 ATOM 37451 OW SOL 1960 54.480 2.240 52.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37456 ATOM 37452 HW1 SOL 1960 53.680 1.680 52.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37457 ATOM 37453 HW2 SOL 1960 54.440 2.550 53.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37458 ATOM 37454 OW SOL 1961 63.510 58.040 39.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37459 ATOM 37455 HW1 SOL 1961 64.280 58.400 39.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37460 ATOM 37456 HW2 SOL 1961 62.660 58.210 39.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37461 ATOM 37457 OW SOL 1962 0.400 60.860 50.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37462 ATOM 37458 HW1 SOL 1962 1.220 61.320 50.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37463 ATOM 37459 HW2 SOL 1962 0.510 60.640 51.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37464 ATOM 37460 OW SOL 1963 0.940 67.560 43.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37465 ATOM 37461 HW1 SOL 1963 0.520 66.910 42.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37466 ATOM 37462 HW2 SOL 1963 1.670 68.060 42.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37467 ATOM 37463 OW SOL 1964 59.740 57.220 47.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37468 ATOM 37464 HW1 SOL 1964 60.400 56.810 47.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37469 ATOM 37465 HW2 SOL 1964 60.120 58.060 46.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37470 ATOM 37466 OW SOL 1965 63.740 69.670 42.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37471 ATOM 37467 HW1 SOL 1965 64.190 69.310 43.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37472 ATOM 37468 HW2 SOL 1965 63.650 70.660 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37473 ATOM 37469 OW SOL 1966 59.350 71.510 45.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37474 ATOM 37470 HW1 SOL 1966 59.060 71.230 44.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37475 ATOM 37471 HW2 SOL 1966 60.080 72.200 45.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37476 ATOM 37472 OW SOL 1967 1.360 66.330 45.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37477 ATOM 37473 HW1 SOL 1967 1.310 66.810 44.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37478 ATOM 37474 HW2 SOL 1967 0.440 66.120 45.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37479 ATOM 37475 OW SOL 1968 67.280 70.290 53.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37480 ATOM 37476 HW1 SOL 1968 66.650 69.580 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37481 ATOM 37477 HW2 SOL 1968 67.570 70.830 54.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37482 ATOM 37478 OW SOL 1969 57.800 64.840 39.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37483 ATOM 37479 HW1 SOL 1969 58.660 64.850 39.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37484 ATOM 37480 HW2 SOL 1969 57.440 63.910 39.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37485 ATOM 37481 OW SOL 1970 70.770 62.470 44.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37486 ATOM 37482 HW1 SOL 1970 70.450 62.010 45.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37487 ATOM 37483 HW2 SOL 1970 71.720 62.770 44.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37488 ATOM 37484 OW SOL 1971 60.720 67.460 53.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37489 ATOM 37485 HW1 SOL 1971 61.140 68.110 52.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37490 ATOM 37486 HW2 SOL 1971 59.970 66.980 52.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37491 ATOM 37487 OW SOL 1972 55.470 57.340 53.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37492 ATOM 37488 HW1 SOL 1972 54.940 57.230 52.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37493 ATOM 37489 HW2 SOL 1972 55.570 56.460 54.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37494 ATOM 37490 OW SOL 1973 69.900 54.710 41.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37495 ATOM 37491 HW1 SOL 1973 69.810 54.270 40.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37496 ATOM 37492 HW2 SOL 1973 70.490 55.520 41.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37497 ATOM 37493 OW SOL 1974 58.920 61.630 42.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37498 ATOM 37494 HW1 SOL 1974 58.680 60.660 42.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37499 ATOM 37495 HW2 SOL 1974 58.120 62.140 43.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37500 ATOM 37496 OW SOL 1975 68.140 56.120 54.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37501 ATOM 37497 HW1 SOL 1975 68.720 56.560 55.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37502 ATOM 37498 HW2 SOL 1975 67.920 55.190 54.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37503 ATOM 37499 OW SOL 1976 61.210 58.620 38.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37504 ATOM 37500 HW1 SOL 1976 60.430 58.470 38.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37505 ATOM 37501 HW2 SOL 1976 61.450 59.590 38.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37506 ATOM 37502 OW SOL 1977 63.750 56.860 53.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37507 ATOM 37503 HW1 SOL 1977 64.550 57.350 53.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37508 ATOM 37504 HW2 SOL 1977 63.510 56.110 53.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37509 ATOM 37505 OW SOL 1978 63.430 71.140 47.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37510 ATOM 37506 HW1 SOL 1978 64.240 70.570 47.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37511 ATOM 37507 HW2 SOL 1978 62.670 70.610 47.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37512 ATOM 37508 OW SOL 1979 69.230 61.720 50.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37513 ATOM 37509 HW1 SOL 1979 69.230 61.540 51.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37514 ATOM 37510 HW2 SOL 1979 69.510 62.670 50.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37515 ATOM 37511 OW SOL 1980 64.060 67.910 46.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37516 ATOM 37512 HW1 SOL 1980 64.510 68.160 45.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37517 ATOM 37513 HW2 SOL 1980 63.430 68.630 46.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37518 ATOM 37514 OW SOL 1981 65.110 59.740 44.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37519 ATOM 37515 HW1 SOL 1981 65.060 58.990 43.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37520 ATOM 37516 HW2 SOL 1981 65.390 59.390 45.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37521 ATOM 37517 OW SOL 1982 60.590 56.780 41.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37522 ATOM 37518 HW1 SOL 1982 60.230 56.210 42.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37523 ATOM 37519 HW2 SOL 1982 60.740 57.710 42.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37524 ATOM 37520 OW SOL 1983 67.460 67.730 36.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37525 ATOM 37521 HW1 SOL 1983 67.510 68.660 36.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37526 ATOM 37522 HW2 SOL 1983 66.640 67.280 36.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37527 ATOM 37523 OW SOL 1984 57.680 55.800 37.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37528 ATOM 37524 HW1 SOL 1984 57.810 56.790 37.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37529 ATOM 37525 HW2 SOL 1984 58.430 55.380 38.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37530 ATOM 37526 OW SOL 1985 64.830 56.110 41.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37531 ATOM 37527 HW1 SOL 1985 64.240 56.670 40.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37532 ATOM 37528 HW2 SOL 1985 65.600 56.660 41.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37533 ATOM 37529 OW SOL 1986 64.700 62.970 50.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37534 ATOM 37530 HW1 SOL 1986 64.480 62.030 50.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37535 ATOM 37531 HW2 SOL 1986 65.170 62.990 51.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37536 ATOM 37532 OW SOL 1987 67.160 70.030 43.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37537 ATOM 37533 HW1 SOL 1987 67.010 70.860 44.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37538 ATOM 37534 HW2 SOL 1987 68.050 70.090 43.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37539 ATOM 37535 OW SOL 1988 59.570 65.970 44.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37540 ATOM 37536 HW1 SOL 1988 58.800 65.550 45.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37541 ATOM 37537 HW2 SOL 1988 59.300 66.180 43.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37542 ATOM 37538 OW SOL 1989 67.560 59.110 35.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37543 ATOM 37539 HW1 SOL 1989 66.930 59.870 35.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37544 ATOM 37540 HW2 SOL 1989 67.190 58.470 36.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37545 ATOM 37541 OW SOL 1990 54.110 59.770 51.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37546 ATOM 37542 HW1 SOL 1990 54.940 59.510 51.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37547 ATOM 37543 HW2 SOL 1990 54.250 59.660 52.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37548 ATOM 37544 OW SOL 1991 61.390 56.450 49.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37549 ATOM 37545 HW1 SOL 1991 60.930 55.680 49.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37550 ATOM 37546 HW2 SOL 1991 61.660 57.120 50.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37551 ATOM 37547 OW SOL 1992 62.290 58.060 45.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37552 ATOM 37548 HW1 SOL 1992 62.420 58.340 44.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37553 ATOM 37549 HW2 SOL 1992 62.580 57.110 45.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37554 ATOM 37550 OW SOL 1993 63.910 55.420 45.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37555 ATOM 37551 HW1 SOL 1993 63.420 55.290 44.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37556 ATOM 37552 HW2 SOL 1993 63.470 54.890 45.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37557 ATOM 37553 OW SOL 1994 68.960 66.760 45.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37558 ATOM 37554 HW1 SOL 1994 68.890 66.370 46.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37559 ATOM 37555 HW2 SOL 1994 69.140 66.040 44.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37560 ATOM 37556 OW SOL 1995 69.660 61.400 46.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37561 ATOM 37557 HW1 SOL 1995 68.730 61.180 47.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37562 ATOM 37558 HW2 SOL 1995 70.300 60.750 47.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37563 ATOM 37559 OW SOL 1996 72.180 63.990 36.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37564 ATOM 37560 HW1 SOL 1996 71.580 64.300 37.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37565 ATOM 37561 HW2 SOL 1996 71.700 64.120 35.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37566 ATOM 37562 OW SOL 1997 57.820 0.320 39.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37567 ATOM 37563 HW1 SOL 1997 57.450 0.110 40.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37568 ATOM 37564 HW2 SOL 1997 58.160 -0.510 38.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37569 ATOM 37565 OW SOL 1998 69.820 61.160 39.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37570 ATOM 37566 HW1 SOL 1998 69.750 60.390 38.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37571 ATOM 37567 HW2 SOL 1998 70.760 61.230 39.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37572 ATOM 37568 OW SOL 1999 62.610 58.690 42.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37573 ATOM 37569 HW1 SOL 1999 63.100 58.370 41.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37574 ATOM 37570 HW2 SOL 1999 62.430 59.670 42.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37575 ATOM 37571 OW SOL 2000 63.880 68.000 50.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37576 ATOM 37572 HW1 SOL 2000 64.400 67.500 51.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37577 ATOM 37573 HW2 SOL 2000 64.500 68.360 49.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37578 ATOM 37574 OW SOL 2001 72.290 70.010 53.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37579 ATOM 37575 HW1 SOL 2001 71.430 69.740 52.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37580 ATOM 37576 HW2 SOL 2001 72.880 70.460 52.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37581 ATOM 37577 OW SOL 2002 66.020 66.710 48.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37582 ATOM 37578 HW1 SOL 2002 65.630 65.790 48.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37583 ATOM 37579 HW2 SOL 2002 65.540 67.230 47.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37584 ATOM 37580 OW SOL 2003 71.570 65.490 46.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37585 ATOM 37581 HW1 SOL 2003 71.160 66.320 46.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37586 ATOM 37582 HW2 SOL 2003 70.870 64.790 46.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37587 ATOM 37583 OW SOL 2004 64.660 56.350 48.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37588 ATOM 37584 HW1 SOL 2004 64.980 55.560 48.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37589 ATOM 37585 HW2 SOL 2004 65.330 56.590 49.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37590 ATOM 37586 OW SOL 2005 63.530 64.860 54.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37591 ATOM 37587 HW1 SOL 2005 62.980 65.510 54.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37592 ATOM 37588 HW2 SOL 2005 63.310 64.960 53.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37593 ATOM 37589 OW SOL 2006 62.470 63.880 41.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37594 ATOM 37590 HW1 SOL 2006 62.030 64.330 42.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37595 ATOM 37591 HW2 SOL 2006 63.240 64.430 41.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37596 ATOM 37592 OW SOL 2007 57.220 62.240 50.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37597 ATOM 37593 HW1 SOL 2007 57.940 62.770 50.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37598 ATOM 37594 HW2 SOL 2007 57.370 62.230 49.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37599 ATOM 37595 OW SOL 2008 67.650 59.390 49.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37600 ATOM 37596 HW1 SOL 2008 68.060 60.210 49.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37601 ATOM 37597 HW2 SOL 2008 67.150 59.640 48.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37602 ATOM 37598 OW SOL 2009 55.930 72.460 48.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37603 ATOM 37599 HW1 SOL 2009 56.270 72.860 47.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37604 ATOM 37600 HW2 SOL 2009 56.450 71.640 48.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37605 ATOM 37601 OW SOL 2010 58.450 66.080 42.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37606 ATOM 37602 HW1 SOL 2010 58.760 67.020 42.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37607 ATOM 37603 HW2 SOL 2010 58.160 65.690 41.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37608 ATOM 37604 OW SOL 2011 60.830 59.760 46.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37609 ATOM 37605 HW1 SOL 2011 61.350 59.450 45.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37610 ATOM 37606 HW2 SOL 2011 60.690 60.750 46.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37611 ATOM 37607 OW SOL 2012 67.270 70.110 40.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37612 ATOM 37608 HW1 SOL 2012 68.000 70.630 40.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37613 ATOM 37609 HW2 SOL 2012 66.760 69.600 41.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37614 ATOM 37610 OW SOL 2013 66.650 69.270 50.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37615 ATOM 37611 HW1 SOL 2013 66.800 69.590 51.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37616 ATOM 37612 HW2 SOL 2013 67.410 68.680 50.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37617 ATOM 37613 OW SOL 2014 69.050 59.050 41.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37618 ATOM 37614 HW1 SOL 2014 68.340 59.570 40.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37619 ATOM 37615 HW2 SOL 2014 69.080 59.320 42.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37620 ATOM 37616 OW SOL 2015 59.000 0.010 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37621 ATOM 37617 HW1 SOL 2015 58.440 -0.820 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37622 ATOM 37618 HW2 SOL 2015 59.970 -0.230 49.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37623 ATOM 37619 OW SOL 2016 59.330 63.590 51.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37624 ATOM 37620 HW1 SOL 2016 60.070 63.350 50.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37625 ATOM 37621 HW2 SOL 2016 59.680 63.610 52.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37626 ATOM 37622 OW SOL 2017 71.640 62.480 53.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37627 ATOM 37623 HW1 SOL 2017 70.980 61.730 53.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37628 ATOM 37624 HW2 SOL 2017 71.330 63.270 53.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37629 ATOM 37625 OW SOL 2018 65.330 54.700 54.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37630 ATOM 37626 HW1 SOL 2018 65.850 55.550 54.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37631 ATOM 37627 HW2 SOL 2018 65.620 54.050 53.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37632 ATOM 37628 OW SOL 2019 60.160 54.600 53.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37633 ATOM 37629 HW1 SOL 2019 59.640 54.210 54.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37634 ATOM 37630 HW2 SOL 2019 61.130 54.650 54.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37635 ATOM 37631 OW SOL 2020 60.830 64.930 47.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37636 ATOM 37632 HW1 SOL 2020 61.780 65.080 47.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37637 ATOM 37633 HW2 SOL 2020 60.540 65.680 48.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37638 ATOM 37634 OW SOL 2021 68.060 63.850 45.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37639 ATOM 37635 HW1 SOL 2021 68.350 64.140 45.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37640 ATOM 37636 HW2 SOL 2021 68.480 62.970 46.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37641 ATOM 37637 OW SOL 2022 65.960 59.070 38.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37642 ATOM 37638 HW1 SOL 2022 66.850 58.620 38.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37643 ATOM 37639 HW2 SOL 2022 65.880 59.760 39.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37644 ATOM 37640 OW SOL 2023 57.690 56.590 49.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37645 ATOM 37641 HW1 SOL 2023 58.300 56.590 50.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37646 ATOM 37642 HW2 SOL 2023 58.090 56.050 49.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37647 ATOM 37643 OW SOL 2024 54.710 68.890 49.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37648 ATOM 37644 HW1 SOL 2024 54.190 69.620 49.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37649 ATOM 37645 HW2 SOL 2024 55.530 68.680 49.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37650 ATOM 37646 OW SOL 2025 63.830 61.920 45.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37651 ATOM 37647 HW1 SOL 2025 63.990 60.960 45.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37652 ATOM 37648 HW2 SOL 2025 62.880 62.030 46.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37653 ATOM 37649 OW SOL 2026 59.070 55.380 43.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37654 ATOM 37650 HW1 SOL 2026 58.540 56.090 43.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37655 ATOM 37651 HW2 SOL 2026 59.570 54.850 43.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37656 ATOM 37652 OW SOL 2027 70.710 57.200 40.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37657 ATOM 37653 HW1 SOL 2027 71.510 57.610 40.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37658 ATOM 37654 HW2 SOL 2027 70.110 57.930 41.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37659 ATOM 37655 OW SOL 2028 65.540 63.550 44.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37660 ATOM 37656 HW1 SOL 2028 66.190 63.820 45.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37661 ATOM 37657 HW2 SOL 2028 64.830 62.980 44.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37662 ATOM 37658 OW SOL 2029 65.120 68.580 53.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37663 ATOM 37659 HW1 SOL 2029 64.300 69.040 53.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37664 ATOM 37660 HW2 SOL 2029 65.280 67.740 53.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37665 ATOM 37661 OW SOL 2030 58.890 66.260 51.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37666 ATOM 37662 HW1 SOL 2030 59.040 65.280 51.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37667 ATOM 37663 HW2 SOL 2030 59.440 66.580 50.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37668 ATOM 37664 OW SOL 2031 68.470 57.600 38.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37669 ATOM 37665 HW1 SOL 2031 68.470 56.920 37.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37670 ATOM 37666 HW2 SOL 2031 69.250 57.430 38.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37671 ATOM 37667 OW SOL 2032 68.740 63.710 38.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37672 ATOM 37668 HW1 SOL 2032 68.940 62.740 38.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37673 ATOM 37669 HW2 SOL 2032 67.900 63.950 38.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37674 ATOM 37670 OW SOL 2033 65.270 68.070 43.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37675 ATOM 37671 HW1 SOL 2033 65.640 67.140 43.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37676 ATOM 37672 HW2 SOL 2033 66.030 68.720 44.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37677 ATOM 37673 OW SOL 2034 57.740 62.480 47.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37678 ATOM 37674 HW1 SOL 2034 57.040 61.960 47.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37679 ATOM 37675 HW2 SOL 2034 58.550 61.910 47.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37680 ATOM 37676 OW SOL 2035 59.190 60.560 48.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37681 ATOM 37677 HW1 SOL 2035 59.870 60.120 48.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37682 ATOM 37678 HW2 SOL 2035 59.540 60.600 49.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37683 ATOM 37679 OW SOL 2036 66.560 57.810 53.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37684 ATOM 37680 HW1 SOL 2036 66.850 58.720 53.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37685 ATOM 37681 HW2 SOL 2036 67.190 57.130 53.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37686 ATOM 37682 OW SOL 2037 66.000 57.560 50.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37687 ATOM 37683 HW1 SOL 2037 66.160 57.470 51.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37688 ATOM 37684 HW2 SOL 2037 66.660 58.200 50.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37689 ATOM 37685 OW SOL 2038 57.870 67.920 40.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37690 ATOM 37686 HW1 SOL 2038 57.080 68.530 40.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37691 ATOM 37687 HW2 SOL 2038 57.610 67.030 39.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37692 ATOM 37688 OW SOL 2039 61.610 69.770 46.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37693 ATOM 37689 HW1 SOL 2039 60.760 70.290 46.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37694 ATOM 37690 HW2 SOL 2039 61.640 69.050 45.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37695 ATOM 37691 OW SOL 2040 65.170 63.680 47.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37696 ATOM 37692 HW1 SOL 2040 65.280 63.510 48.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37697 ATOM 37693 HW2 SOL 2040 64.750 62.880 47.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37698 ATOM 37694 OW SOL 2041 55.990 60.900 45.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37699 ATOM 37695 HW1 SOL 2041 55.060 60.630 46.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37700 ATOM 37696 HW2 SOL 2041 56.020 61.110 44.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37701 ATOM 37697 OW SOL 2042 55.280 59.920 54.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37702 ATOM 37698 HW1 SOL 2042 55.460 58.940 54.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37703 ATOM 37699 HW2 SOL 2042 56.050 60.370 53.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37704 ATOM 37700 OW SOL 2043 68.400 66.200 52.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37705 ATOM 37701 HW1 SOL 2043 69.090 65.850 52.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37706 ATOM 37702 HW2 SOL 2043 68.800 66.250 51.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37707 ATOM 37703 OW SOL 2044 62.910 61.570 40.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37708 ATOM 37704 HW1 SOL 2044 62.570 62.170 40.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37709 ATOM 37705 HW2 SOL 2044 62.200 61.450 39.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37710 ATOM 37706 OW SOL 2045 55.000 70.220 51.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37711 ATOM 37707 HW1 SOL 2045 55.290 70.730 52.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37712 ATOM 37708 HW2 SOL 2045 54.430 70.810 51.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37713 ATOM 37709 OW SOL 2046 63.580 58.610 47.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37714 ATOM 37710 HW1 SOL 2046 63.910 57.810 48.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37715 ATOM 37711 HW2 SOL 2046 62.700 58.390 47.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37716 ATOM 37712 OW SOL 2047 60.840 61.380 38.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37717 ATOM 37713 HW1 SOL 2047 60.030 61.190 38.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37718 ATOM 37714 HW2 SOL 2047 60.620 61.260 37.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37719 ATOM 37715 OW SOL 2048 54.670 65.710 51.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37720 ATOM 37716 HW1 SOL 2048 55.460 65.780 52.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37721 ATOM 37717 HW2 SOL 2048 54.710 64.840 51.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37722 ATOM 37718 OW SOL 2049 68.540 65.690 47.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37723 ATOM 37719 HW1 SOL 2049 68.250 64.910 47.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37724 ATOM 37720 HW2 SOL 2049 67.730 66.230 48.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37725 ATOM 37721 OW SOL 2050 68.150 62.710 41.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37726 ATOM 37722 HW1 SOL 2050 67.370 62.190 41.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37727 ATOM 37723 HW2 SOL 2050 68.900 62.090 41.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37728 ATOM 37724 OW SOL 2051 71.080 69.850 46.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37729 ATOM 37725 HW1 SOL 2051 71.800 69.780 45.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37730 ATOM 37726 HW2 SOL 2051 71.490 69.910 47.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37731 ATOM 37727 OW SOL 2052 66.000 70.070 48.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37732 ATOM 37728 HW1 SOL 2052 66.780 70.030 47.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37733 ATOM 37729 HW2 SOL 2052 66.260 69.640 48.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37734 ATOM 37730 OW SOL 2053 55.650 66.580 47.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37735 ATOM 37731 HW1 SOL 2053 55.330 66.700 48.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37736 ATOM 37732 HW2 SOL 2053 55.060 67.100 46.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37737 ATOM 37733 OW SOL 2054 71.060 70.310 37.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37738 ATOM 37734 HW1 SOL 2054 70.600 71.200 37.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37739 ATOM 37735 HW2 SOL 2054 71.240 69.970 36.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37740 ATOM 37736 OW SOL 2055 55.650 71.960 53.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37741 ATOM 37737 HW1 SOL 2055 54.780 72.410 53.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37742 ATOM 37738 HW2 SOL 2055 56.330 72.650 53.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37743 ATOM 37739 OW SOL 2056 69.050 64.740 43.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37744 ATOM 37740 HW1 SOL 2056 69.900 64.220 43.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37745 ATOM 37741 HW2 SOL 2056 68.440 64.410 42.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37746 ATOM 37742 OW SOL 2057 61.820 69.170 51.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37747 ATOM 37743 HW1 SOL 2057 61.860 70.170 51.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37748 ATOM 37744 HW2 SOL 2057 62.670 68.780 51.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37749 ATOM 37745 OW SOL 2058 63.270 0.850 37.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37750 ATOM 37746 HW1 SOL 2058 64.120 0.880 38.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37751 ATOM 37747 HW2 SOL 2058 62.600 0.310 38.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37752 ATOM 37748 OW SOL 2059 57.790 58.700 42.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37753 ATOM 37749 HW1 SOL 2059 57.710 58.300 43.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37754 ATOM 37750 HW2 SOL 2059 57.010 58.410 42.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37755 ATOM 37751 OW SOL 2060 67.160 70.190 37.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37756 ATOM 37752 HW1 SOL 2060 67.390 70.120 38.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37757 ATOM 37753 HW2 SOL 2060 66.210 70.470 37.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37758 ATOM 37754 OW SOL 2061 60.050 67.380 48.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37759 ATOM 37755 HW1 SOL 2061 59.380 67.800 48.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37760 ATOM 37756 HW2 SOL 2061 60.560 68.090 49.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37761 ATOM 37757 OW SOL 2062 67.410 65.790 40.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37762 ATOM 37758 HW1 SOL 2062 67.930 66.580 41.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37763 ATOM 37759 HW2 SOL 2062 68.030 65.010 40.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37764 ATOM 37760 OW SOL 2063 56.960 68.600 50.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37765 ATOM 37761 HW1 SOL 2063 56.370 69.100 51.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37766 ATOM 37762 HW2 SOL 2063 57.700 68.160 51.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37767 ATOM 37763 OW SOL 2064 64.860 65.470 41.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37768 ATOM 37764 HW1 SOL 2064 65.090 64.940 42.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37769 ATOM 37765 HW2 SOL 2064 65.710 65.760 41.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37770 ATOM 37766 OW SOL 2065 66.630 56.420 45.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37771 ATOM 37767 HW1 SOL 2065 65.700 56.050 45.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37772 ATOM 37768 HW2 SOL 2065 67.260 55.690 45.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37773 ATOM 37769 OW SOL 2066 59.780 68.500 42.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37774 ATOM 37770 HW1 SOL 2066 60.510 68.480 43.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37775 ATOM 37771 HW2 SOL 2066 60.170 68.740 41.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37776 ATOM 37772 OW SOL 2067 59.850 69.560 39.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37777 ATOM 37773 HW1 SOL 2067 60.480 69.430 39.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37778 ATOM 37774 HW2 SOL 2067 59.110 68.900 39.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37779 ATOM 37775 OW SOL 2068 56.720 65.490 53.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37780 ATOM 37776 HW1 SOL 2068 56.850 64.860 54.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37781 ATOM 37777 HW2 SOL 2068 57.610 65.730 53.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37782 ATOM 37778 OW SOL 2069 63.540 54.900 50.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37783 ATOM 37779 HW1 SOL 2069 63.720 55.320 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37784 ATOM 37780 HW2 SOL 2069 63.610 55.590 51.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37785 ATOM 37781 OW SOL 2070 53.690 56.730 35.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37786 ATOM 37782 HW1 SOL 2070 52.740 56.450 35.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37787 ATOM 37783 HW2 SOL 2070 54.270 56.290 35.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37788 ATOM 37784 OW SOL 2071 70.410 64.490 49.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37789 ATOM 37785 HW1 SOL 2071 69.950 64.730 48.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37790 ATOM 37786 HW2 SOL 2071 71.370 64.270 49.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37791 ATOM 37787 OW SOL 2072 54.870 57.730 38.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37792 ATOM 37788 HW1 SOL 2072 54.010 57.910 38.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37793 ATOM 37789 HW2 SOL 2072 55.640 57.940 38.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37794 ATOM 37790 OW SOL 2073 69.680 68.080 38.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37795 ATOM 37791 HW1 SOL 2073 70.130 68.910 38.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37796 ATOM 37792 HW2 SOL 2073 68.720 68.290 38.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37797 ATOM 37793 OW SOL 2074 61.470 62.810 49.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37798 ATOM 37794 HW1 SOL 2074 61.390 63.210 49.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37799 ATOM 37795 HW2 SOL 2074 62.130 62.050 49.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37800 ATOM 37796 OW SOL 2075 68.390 69.450 46.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37801 ATOM 37797 HW1 SOL 2075 68.240 69.140 45.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37802 ATOM 37798 HW2 SOL 2075 69.380 69.540 47.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37803 ATOM 37799 OW SOL 2076 62.110 58.110 51.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37804 ATOM 37800 HW1 SOL 2076 61.780 58.960 51.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37805 ATOM 37801 HW2 SOL 2076 62.730 57.650 52.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37806 ATOM 37802 OW SOL 2077 70.520 67.600 53.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37807 ATOM 37803 HW1 SOL 2077 70.520 67.860 54.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37808 ATOM 37804 HW2 SOL 2077 70.070 68.320 53.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37809 ATOM 37805 OW SOL 2078 0.360 63.570 49.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37810 ATOM 37806 HW1 SOL 2078 0.920 63.040 49.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37811 ATOM 37807 HW2 SOL 2078 0.900 64.340 48.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37812 ATOM 37808 OW SOL 2079 66.850 57.570 42.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37813 ATOM 37809 HW1 SOL 2079 67.770 57.880 42.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37814 ATOM 37810 HW2 SOL 2079 66.890 56.950 43.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37815 ATOM 37811 OW SOL 2080 60.740 62.680 46.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37816 ATOM 37812 HW1 SOL 2080 60.690 63.480 46.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37817 ATOM 37813 HW2 SOL 2080 60.510 62.950 45.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37818 ATOM 37814 OW SOL 2081 70.770 65.080 52.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37819 ATOM 37815 HW1 SOL 2081 70.970 65.980 53.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37820 ATOM 37816 HW2 SOL 2081 70.980 65.080 51.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37821 ATOM 37817 OW SOL 2082 63.350 67.690 37.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37822 ATOM 37818 HW1 SOL 2082 63.960 67.280 37.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37823 ATOM 37819 HW2 SOL 2082 62.410 67.610 37.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37824 ATOM 37820 OW SOL 2083 63.480 65.260 46.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37825 ATOM 37821 HW1 SOL 2083 64.310 64.770 47.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37826 ATOM 37822 HW2 SOL 2083 63.560 66.220 47.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37827 ATOM 37823 OW SOL 2084 65.430 66.440 38.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37828 ATOM 37824 HW1 SOL 2084 64.710 65.760 38.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37829 ATOM 37825 HW2 SOL 2084 65.730 66.760 39.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37830 ATOM 37826 OW SOL 2085 0.850 69.780 45.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37831 ATOM 37827 HW1 SOL 2085 1.520 70.490 45.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37832 ATOM 37828 HW2 SOL 2085 1.260 69.080 44.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37833 ATOM 37829 OW SOL 2086 57.830 68.960 53.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37834 ATOM 37830 HW1 SOL 2086 57.520 68.400 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37835 ATOM 37831 HW2 SOL 2086 57.390 69.860 53.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37836 ATOM 37832 OW SOL 2087 56.130 68.220 43.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37837 ATOM 37833 HW1 SOL 2087 55.240 67.900 43.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37838 ATOM 37834 HW2 SOL 2087 56.760 67.440 43.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37839 ATOM 37835 OW SOL 2088 62.430 71.890 52.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37840 ATOM 37836 HW1 SOL 2088 62.950 72.740 52.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37841 ATOM 37837 HW2 SOL 2088 62.410 71.470 53.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37842 ATOM 37838 OW SOL 2089 70.750 59.060 50.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37843 ATOM 37839 HW1 SOL 2089 70.060 59.380 50.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37844 ATOM 37840 HW2 SOL 2089 71.550 59.650 50.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37845 ATOM 37841 OW SOL 2090 59.170 58.960 40.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37846 ATOM 37842 HW1 SOL 2090 58.760 58.820 41.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37847 ATOM 37843 HW2 SOL 2090 58.480 58.830 39.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37848 ATOM 37844 OW SOL 2091 56.610 59.220 50.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37849 ATOM 37845 HW1 SOL 2091 57.090 58.350 50.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37850 ATOM 37846 HW2 SOL 2091 57.200 59.970 50.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37851 ATOM 37847 OW SOL 2092 64.060 72.170 44.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37852 ATOM 37848 HW1 SOL 2092 63.990 72.740 43.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37853 ATOM 37849 HW2 SOL 2092 63.230 72.260 44.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37854 ATOM 37850 OW SOL 2093 0.630 58.070 48.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37855 ATOM 37851 HW1 SOL 2093 0.600 57.120 48.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37856 ATOM 37852 HW2 SOL 2093 -0.110 58.230 49.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37857 ATOM 37853 OW SOL 2094 65.810 54.120 47.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37858 ATOM 37854 HW1 SOL 2094 65.260 53.560 46.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37859 ATOM 37855 HW2 SOL 2094 66.710 54.270 47.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37860 ATOM 37856 OW SOL 2095 62.850 67.310 41.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37861 ATOM 37857 HW1 SOL 2095 63.650 66.740 41.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37862 ATOM 37858 HW2 SOL 2095 63.080 68.270 41.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37863 ATOM 37859 OW SOL 2096 61.560 71.990 49.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37864 ATOM 37860 HW1 SOL 2096 61.970 71.930 50.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37865 ATOM 37861 HW2 SOL 2096 62.260 71.820 49.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37866 ATOM 37862 OW SOL 2097 67.930 55.440 36.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37867 ATOM 37863 HW1 SOL 2097 68.770 55.090 35.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37868 ATOM 37864 HW2 SOL 2097 67.380 54.690 36.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37869 ATOM 37865 OW SOL 2098 69.090 59.550 44.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37870 ATOM 37866 HW1 SOL 2098 68.340 60.100 44.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37871 ATOM 37867 HW2 SOL 2098 69.560 59.080 44.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37872 ATOM 37868 OW SOL 2099 71.810 55.380 44.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37873 ATOM 37869 HW1 SOL 2099 72.040 55.780 43.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37874 ATOM 37870 HW2 SOL 2099 71.180 54.620 44.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37875 ATOM 37871 OW SOL 2100 54.870 65.190 40.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37876 ATOM 37872 HW1 SOL 2100 55.780 64.840 39.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37877 ATOM 37873 HW2 SOL 2100 54.230 64.900 39.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37878 ATOM 37874 OW SOL 2101 60.720 64.160 53.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37879 ATOM 37875 HW1 SOL 2101 61.650 63.900 53.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37880 ATOM 37876 HW2 SOL 2101 60.400 64.900 54.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37881 ATOM 37877 OW SOL 2102 57.970 58.130 64.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37882 ATOM 37878 HW1 SOL 2102 57.810 57.300 65.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37883 ATOM 37879 HW2 SOL 2102 57.090 58.590 64.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37884 ATOM 37880 OW SOL 2103 55.840 58.950 63.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37885 ATOM 37881 HW1 SOL 2103 54.910 59.110 63.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37886 ATOM 37882 HW2 SOL 2103 55.790 58.460 62.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37887 ATOM 37883 OW SOL 2104 62.240 67.930 66.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37888 ATOM 37884 HW1 SOL 2104 61.250 67.950 67.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37889 ATOM 37885 HW2 SOL 2104 62.500 68.570 66.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37890 ATOM 37886 OW SOL 2105 1.060 72.500 60.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37891 ATOM 37887 HW1 SOL 2105 0.060 72.540 60.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37892 ATOM 37888 HW2 SOL 2105 1.370 73.310 61.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37893 ATOM 37889 OW SOL 2106 63.580 62.240 60.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37894 ATOM 37890 HW1 SOL 2106 63.770 62.800 61.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37895 ATOM 37891 HW2 SOL 2106 63.940 61.320 60.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37896 ATOM 37892 OW SOL 2107 71.570 61.360 56.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37897 ATOM 37893 HW1 SOL 2107 71.580 61.790 55.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37898 ATOM 37894 HW2 SOL 2107 72.140 60.540 56.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37899 ATOM 37895 OW SOL 2108 62.940 65.780 64.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37900 ATOM 37896 HW1 SOL 2108 62.750 66.470 65.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37901 ATOM 37897 HW2 SOL 2108 62.380 65.940 64.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37902 ATOM 37898 OW SOL 2109 62.480 62.560 72.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37903 ATOM 37899 HW1 SOL 2109 62.940 62.130 73.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37904 ATOM 37900 HW2 SOL 2109 62.990 63.370 72.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37905 ATOM 37901 OW SOL 2110 64.200 64.050 62.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37906 ATOM 37902 HW1 SOL 2110 64.580 63.440 63.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37907 ATOM 37903 HW2 SOL 2110 63.550 64.680 63.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37908 ATOM 37904 OW SOL 2111 59.050 68.170 67.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37909 ATOM 37905 HW1 SOL 2111 58.960 67.440 68.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37910 ATOM 37906 HW2 SOL 2111 58.140 68.500 67.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37911 ATOM 37907 OW SOL 2112 67.890 67.350 71.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37912 ATOM 37908 HW1 SOL 2112 68.040 66.460 72.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37913 ATOM 37909 HW2 SOL 2112 67.040 67.320 71.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37914 ATOM 37910 OW SOL 2113 60.890 57.120 68.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37915 ATOM 37911 HW1 SOL 2113 60.970 57.480 69.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37916 ATOM 37912 HW2 SOL 2113 60.020 57.420 68.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37917 ATOM 37913 OW SOL 2114 58.020 69.030 60.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37918 ATOM 37914 HW1 SOL 2114 58.100 69.990 60.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37919 ATOM 37915 HW2 SOL 2114 58.920 68.670 60.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37920 ATOM 37916 OW SOL 2115 59.120 66.390 64.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37921 ATOM 37917 HW1 SOL 2115 59.400 65.450 64.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37922 ATOM 37918 HW2 SOL 2115 59.050 66.560 65.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37923 ATOM 37919 OW SOL 2116 61.450 65.680 57.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37924 ATOM 37920 HW1 SOL 2116 61.710 66.190 57.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37925 ATOM 37921 HW2 SOL 2116 62.270 65.410 58.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37926 ATOM 37922 OW SOL 2117 72.430 55.600 70.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37927 ATOM 37923 HW1 SOL 2117 72.790 55.790 69.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37928 ATOM 37924 HW2 SOL 2117 71.440 55.750 70.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37929 ATOM 37925 OW SOL 2118 57.410 60.890 62.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37930 ATOM 37926 HW1 SOL 2118 56.950 60.200 62.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37931 ATOM 37927 HW2 SOL 2118 58.380 60.930 62.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37932 ATOM 37928 OW SOL 2119 54.510 71.750 56.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37933 ATOM 37929 HW1 SOL 2119 54.540 70.930 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37934 ATOM 37930 HW2 SOL 2119 54.750 71.510 57.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37935 ATOM 37931 OW SOL 2120 71.730 64.900 62.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37936 ATOM 37932 HW1 SOL 2120 72.320 64.990 62.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37937 ATOM 37933 HW2 SOL 2120 72.250 64.510 61.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37938 ATOM 37934 OW SOL 2121 54.020 62.020 71.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37939 ATOM 37935 HW1 SOL 2121 54.070 62.860 71.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37940 ATOM 37936 HW2 SOL 2121 53.070 61.710 71.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37941 ATOM 37937 OW SOL 2122 62.430 70.290 63.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37942 ATOM 37938 HW1 SOL 2122 61.520 70.690 63.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37943 ATOM 37939 HW2 SOL 2122 62.620 69.970 62.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37944 ATOM 37940 OW SOL 2123 67.770 64.450 69.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37945 ATOM 37941 HW1 SOL 2123 68.640 64.220 68.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37946 ATOM 37942 HW2 SOL 2123 67.920 64.500 70.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37947 ATOM 37943 OW SOL 2124 58.070 63.910 67.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37948 ATOM 37944 HW1 SOL 2124 59.030 63.630 67.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37949 ATOM 37945 HW2 SOL 2124 57.630 63.910 66.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37950 ATOM 37946 OW SOL 2125 71.010 66.060 58.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37951 ATOM 37947 HW1 SOL 2125 70.030 65.900 58.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37952 ATOM 37948 HW2 SOL 2125 71.450 65.240 57.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37953 ATOM 37949 OW SOL 2126 58.430 59.640 72.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37954 ATOM 37950 HW1 SOL 2126 58.940 60.320 71.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37955 ATOM 37951 HW2 SOL 2126 57.460 59.680 71.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37956 ATOM 37952 OW SOL 2127 71.360 70.770 60.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37957 ATOM 37953 HW1 SOL 2127 71.930 70.640 61.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37958 ATOM 37954 HW2 SOL 2127 71.200 69.880 60.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37959 ATOM 37955 OW SOL 2128 71.920 1.110 62.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37960 ATOM 37956 HW1 SOL 2128 72.410 1.560 63.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37961 ATOM 37957 HW2 SOL 2128 71.840 0.130 63.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37962 ATOM 37958 OW SOL 2129 60.150 63.240 57.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37963 ATOM 37959 HW1 SOL 2129 60.690 64.060 57.560 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37964 ATOM 37960 HW2 SOL 2129 59.800 62.890 58.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37965 ATOM 37961 OW SOL 2130 68.010 59.110 64.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37966 ATOM 37962 HW1 SOL 2130 67.370 58.340 64.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37967 ATOM 37963 HW2 SOL 2130 68.940 58.780 65.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37968 ATOM 37964 OW SOL 2131 71.030 0.220 58.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37969 ATOM 37965 HW1 SOL 2131 71.820 -0.390 58.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37970 ATOM 37966 HW2 SOL 2131 70.430 0.130 57.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37971 ATOM 37967 OW SOL 2132 62.760 59.640 68.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37972 ATOM 37968 HW1 SOL 2132 62.000 59.320 69.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37973 ATOM 37969 HW2 SOL 2132 62.470 59.690 67.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37974 ATOM 37970 OW SOL 2133 65.170 62.960 70.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37975 ATOM 37971 HW1 SOL 2133 65.290 62.450 70.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37976 ATOM 37972 HW2 SOL 2133 65.740 62.540 71.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37977 ATOM 37973 OW SOL 2134 64.770 58.550 65.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37978 ATOM 37974 HW1 SOL 2134 63.830 58.810 65.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37979 ATOM 37975 HW2 SOL 2134 65.150 58.080 65.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37980 ATOM 37976 OW SOL 2135 63.890 62.420 57.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37981 ATOM 37977 HW1 SOL 2135 63.440 62.580 58.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37982 ATOM 37978 HW2 SOL 2135 63.210 62.180 57.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37983 ATOM 37979 OW SOL 2136 57.140 63.820 65.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37984 ATOM 37980 HW1 SOL 2136 58.010 63.940 64.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37985 ATOM 37981 HW2 SOL 2136 56.390 64.080 64.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37986 ATOM 37982 OW SOL 2137 56.030 0.180 71.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37987 ATOM 37983 HW1 SOL 2137 55.320 0.700 70.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37988 ATOM 37984 HW2 SOL 2137 56.180 -0.680 70.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37989 ATOM 37985 OW SOL 2138 61.000 59.170 55.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37990 ATOM 37986 HW1 SOL 2138 61.540 58.470 55.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37991 ATOM 37987 HW2 SOL 2138 60.050 58.880 55.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37992 ATOM 37988 OW SOL 2139 70.320 67.960 60.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37993 ATOM 37989 HW1 SOL 2139 70.770 67.090 60.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37994 ATOM 37990 HW2 SOL 2139 69.530 68.080 59.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37995 ATOM 37991 OW SOL 2140 59.760 54.920 65.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37996 ATOM 37992 HW1 SOL 2140 59.110 55.630 66.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37997 ATOM 37993 HW2 SOL 2140 60.640 55.080 66.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37998 ATOM 37994 OW SOL 2141 66.970 70.430 60.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
37999 ATOM 37995 HW1 SOL 2141 67.730 71.080 60.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38000 ATOM 37996 HW2 SOL 2141 66.150 70.860 61.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38001 ATOM 37997 OW SOL 2142 57.700 70.650 64.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38002 ATOM 37998 HW1 SOL 2142 57.800 69.960 63.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38003 ATOM 37999 HW2 SOL 2142 58.580 70.800 64.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38004 ATOM 38000 OW SOL 2143 71.680 68.770 65.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38005 ATOM 38001 HW1 SOL 2143 71.140 68.340 64.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38006 ATOM 38002 HW2 SOL 2143 71.110 68.920 65.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38007 ATOM 38003 OW SOL 2144 68.110 69.180 0.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38008 ATOM 38004 HW1 SOL 2144 67.740 68.740 1.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38009 ATOM 38005 HW2 SOL 2144 68.070 68.550 0.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38010 ATOM 38006 OW SOL 2145 58.490 65.990 58.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38011 ATOM 38007 HW1 SOL 2145 58.720 66.920 58.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38012 ATOM 38008 HW2 SOL 2145 59.280 65.390 58.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38013 ATOM 38009 OW SOL 2146 71.460 60.020 62.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38014 ATOM 38010 HW1 SOL 2146 71.450 60.550 63.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38015 ATOM 38011 HW2 SOL 2146 72.010 60.490 62.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38016 ATOM 38012 OW SOL 2147 59.720 67.460 72.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38017 ATOM 38013 HW1 SOL 2147 59.400 67.230 71.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38018 ATOM 38014 HW2 SOL 2147 59.110 67.050 73.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38019 ATOM 38015 OW SOL 2148 58.100 57.540 69.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38020 ATOM 38016 HW1 SOL 2148 58.420 56.940 70.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38021 ATOM 38017 HW2 SOL 2148 57.700 58.370 69.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38022 ATOM 38018 OW SOL 2149 68.940 56.770 62.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38023 ATOM 38019 HW1 SOL 2149 68.500 56.190 63.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38024 ATOM 38020 HW2 SOL 2149 69.910 56.870 62.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38025 ATOM 38021 OW SOL 2150 59.270 62.340 59.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38026 ATOM 38022 HW1 SOL 2150 59.350 61.350 59.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38027 ATOM 38023 HW2 SOL 2150 58.370 62.660 60.070 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38028 ATOM 38024 OW SOL 2151 62.710 54.470 54.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38029 ATOM 38025 HW1 SOL 2151 62.550 55.060 55.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38030 ATOM 38026 HW2 SOL 2151 63.680 54.430 54.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38031 ATOM 38027 OW SOL 2152 61.370 58.680 71.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38032 ATOM 38028 HW1 SOL 2152 62.170 58.500 71.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38033 ATOM 38029 HW2 SOL 2152 60.900 59.500 71.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38034 ATOM 38030 OW SOL 2153 66.140 69.440 66.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38035 ATOM 38031 HW1 SOL 2153 66.040 69.160 66.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38036 ATOM 38032 HW2 SOL 2153 66.550 68.690 67.480 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38037 ATOM 38033 OW SOL 2154 70.800 59.090 68.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38038 ATOM 38034 HW1 SOL 2154 70.520 58.290 69.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38039 ATOM 38035 HW2 SOL 2154 70.170 59.850 68.820 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38040 ATOM 38036 OW SOL 2155 64.730 69.120 64.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38041 ATOM 38037 HW1 SOL 2155 65.660 69.420 64.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38042 ATOM 38038 HW2 SOL 2155 64.070 69.700 63.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38043 ATOM 38039 OW SOL 2156 64.900 59.360 62.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38044 ATOM 38040 HW1 SOL 2156 64.730 59.160 61.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38045 ATOM 38041 HW2 SOL 2156 65.520 58.680 63.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38046 ATOM 38042 OW SOL 2157 61.600 55.020 59.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38047 ATOM 38043 HW1 SOL 2157 61.340 55.560 60.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38048 ATOM 38044 HW2 SOL 2157 61.780 55.630 58.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38049 ATOM 38045 OW SOL 2158 70.230 67.910 56.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38050 ATOM 38046 HW1 SOL 2158 70.650 67.270 57.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38051 ATOM 38047 HW2 SOL 2158 69.260 67.700 56.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38052 ATOM 38048 OW SOL 2159 59.390 56.040 56.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38053 ATOM 38049 HW1 SOL 2159 60.380 56.060 56.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38054 ATOM 38050 HW2 SOL 2159 59.100 55.110 56.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38055 ATOM 38051 OW SOL 2160 65.270 58.250 57.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38056 ATOM 38052 HW1 SOL 2160 64.520 57.620 57.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38057 ATOM 38053 HW2 SOL 2160 66.100 57.930 57.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38058 ATOM 38054 OW SOL 2161 64.920 61.100 68.710 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38059 ATOM 38055 HW1 SOL 2161 64.100 60.560 68.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38060 ATOM 38056 HW2 SOL 2161 65.540 60.550 68.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38061 ATOM 38057 OW SOL 2162 68.850 71.820 63.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38062 ATOM 38058 HW1 SOL 2162 69.800 71.820 63.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38063 ATOM 38059 HW2 SOL 2162 68.820 72.150 62.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38064 ATOM 38060 OW SOL 2163 61.510 66.040 62.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38065 ATOM 38061 HW1 SOL 2163 60.590 66.400 62.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38066 ATOM 38062 HW2 SOL 2163 61.460 65.150 61.990 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38067 ATOM 38063 OW SOL 2164 66.870 60.870 54.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38068 ATOM 38064 HW1 SOL 2164 66.580 61.750 53.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38069 ATOM 38065 HW2 SOL 2164 66.500 60.760 55.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38070 ATOM 38066 OW SOL 2165 56.500 59.850 68.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38071 ATOM 38067 HW1 SOL 2165 57.260 59.660 67.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38072 ATOM 38068 HW2 SOL 2165 56.740 60.620 69.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38073 ATOM 38069 OW SOL 2166 62.330 55.590 66.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38074 ATOM 38070 HW1 SOL 2166 63.330 55.680 66.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38075 ATOM 38071 HW2 SOL 2166 61.930 56.140 67.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38076 ATOM 38072 OW SOL 2167 64.460 59.340 60.000 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38077 ATOM 38073 HW1 SOL 2167 63.520 59.270 59.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38078 ATOM 38074 HW2 SOL 2167 65.080 59.450 59.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38079 ATOM 38075 OW SOL 2168 63.680 55.940 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38080 ATOM 38076 HW1 SOL 2168 62.840 56.470 61.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38081 ATOM 38077 HW2 SOL 2168 63.460 54.960 61.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38082 ATOM 38078 OW SOL 2169 69.060 67.840 62.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38083 ATOM 38079 HW1 SOL 2169 68.400 67.120 62.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38084 ATOM 38080 HW2 SOL 2169 69.610 68.010 62.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38085 ATOM 38081 OW SOL 2170 71.560 62.490 64.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38086 ATOM 38082 HW1 SOL 2170 72.140 62.920 64.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38087 ATOM 38083 HW2 SOL 2170 70.850 63.130 63.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38088 ATOM 38084 OW SOL 2171 0.440 63.760 59.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38089 ATOM 38085 HW1 SOL 2171 1.440 63.810 59.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38090 ATOM 38086 HW2 SOL 2171 0.180 64.010 58.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38091 ATOM 38087 OW SOL 2172 59.990 69.770 55.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38092 ATOM 38088 HW1 SOL 2172 59.490 69.730 56.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38093 ATOM 38089 HW2 SOL 2172 59.620 69.090 54.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38094 ATOM 38090 OW SOL 2173 69.140 62.620 56.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38095 ATOM 38091 HW1 SOL 2173 68.450 61.920 56.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38096 ATOM 38092 HW2 SOL 2173 70.050 62.250 56.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38097 ATOM 38093 OW SOL 2174 62.060 59.650 58.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38098 ATOM 38094 HW1 SOL 2174 62.270 58.720 58.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38099 ATOM 38095 HW2 SOL 2174 61.900 60.230 57.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38100 ATOM 38096 OW SOL 2175 66.210 66.630 68.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38101 ATOM 38097 HW1 SOL 2175 65.750 67.100 69.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38102 ATOM 38098 HW2 SOL 2175 66.700 65.840 68.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38103 ATOM 38099 OW SOL 2176 70.120 71.310 0.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38104 ATOM 38100 HW1 SOL 2176 69.380 70.650 0.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38105 ATOM 38101 HW2 SOL 2176 70.500 71.490 -0.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38106 ATOM 38102 OW SOL 2177 68.010 66.850 66.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38107 ATOM 38103 HW1 SOL 2177 67.360 66.670 67.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38108 ATOM 38104 HW2 SOL 2177 67.510 67.120 65.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38109 ATOM 38105 OW SOL 2178 70.300 67.910 70.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38110 ATOM 38106 HW1 SOL 2178 71.190 67.850 70.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38111 ATOM 38107 HW2 SOL 2178 69.570 67.710 70.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38112 ATOM 38108 OW SOL 2179 65.200 56.060 67.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38113 ATOM 38109 HW1 SOL 2179 65.070 56.830 66.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38114 ATOM 38110 HW2 SOL 2179 65.460 56.400 68.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38115 ATOM 38111 OW SOL 2180 63.650 65.180 59.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38116 ATOM 38112 HW1 SOL 2180 63.830 65.060 60.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38117 ATOM 38113 HW2 SOL 2180 64.500 65.050 59.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38118 ATOM 38114 OW SOL 2181 60.120 61.890 67.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38119 ATOM 38115 HW1 SOL 2181 61.030 62.170 67.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38120 ATOM 38116 HW2 SOL 2181 59.910 60.990 67.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38121 ATOM 38117 OW SOL 2182 66.490 60.030 66.880 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38122 ATOM 38118 HW1 SOL 2182 67.230 59.680 66.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38123 ATOM 38119 HW2 SOL 2182 65.650 59.510 66.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38124 ATOM 38120 OW SOL 2183 57.900 71.970 67.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38125 ATOM 38121 HW1 SOL 2183 58.450 72.480 68.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38126 ATOM 38122 HW2 SOL 2183 58.480 71.310 67.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38127 ATOM 38123 OW SOL 2184 60.610 68.010 59.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38128 ATOM 38124 HW1 SOL 2184 61.370 68.460 60.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38129 ATOM 38125 HW2 SOL 2184 60.930 67.180 59.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38130 ATOM 38126 OW SOL 2185 60.220 60.760 62.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38131 ATOM 38127 HW1 SOL 2185 60.110 60.180 62.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38132 ATOM 38128 HW2 SOL 2185 61.100 60.570 63.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38133 ATOM 38129 OW SOL 2186 67.010 67.840 59.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38134 ATOM 38130 HW1 SOL 2186 67.130 68.810 59.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38135 ATOM 38131 HW2 SOL 2186 66.930 67.330 60.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38136 ATOM 38132 OW SOL 2187 69.950 68.880 67.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38137 ATOM 38133 HW1 SOL 2187 69.990 68.770 68.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38138 ATOM 38134 HW2 SOL 2187 69.350 68.180 66.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38139 ATOM 38135 OW SOL 2188 69.340 61.170 60.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38140 ATOM 38136 HW1 SOL 2188 68.560 61.050 61.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38141 ATOM 38137 HW2 SOL 2188 70.150 61.430 61.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38142 ATOM 38138 OW SOL 2189 59.800 70.500 66.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38143 ATOM 38139 HW1 SOL 2189 59.500 69.690 67.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38144 ATOM 38140 HW2 SOL 2189 60.710 70.340 66.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38145 ATOM 38141 OW SOL 2190 57.000 62.310 69.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38146 ATOM 38142 HW1 SOL 2190 56.540 62.890 70.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38147 ATOM 38143 HW2 SOL 2190 57.520 62.880 69.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38148 ATOM 38144 OW SOL 2191 69.250 62.090 70.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38149 ATOM 38145 HW1 SOL 2191 69.060 61.430 70.040 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38150 ATOM 38146 HW2 SOL 2191 69.280 63.010 70.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38151 ATOM 38147 OW SOL 2192 61.840 63.330 65.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38152 ATOM 38148 HW1 SOL 2192 62.300 64.210 64.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38153 ATOM 38149 HW2 SOL 2192 62.290 62.790 65.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38154 ATOM 38150 OW SOL 2193 68.830 63.970 63.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38155 ATOM 38151 HW1 SOL 2193 68.240 63.190 63.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38156 ATOM 38152 HW2 SOL 2193 69.330 64.240 62.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38157 ATOM 38153 OW SOL 2194 65.820 60.850 56.890 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38158 ATOM 38154 HW1 SOL 2194 65.520 59.890 56.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38159 ATOM 38155 HW2 SOL 2194 65.090 61.440 57.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38160 ATOM 38156 OW SOL 2195 57.740 56.580 66.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38161 ATOM 38157 HW1 SOL 2195 57.950 56.970 67.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38162 ATOM 38158 HW2 SOL 2195 57.430 55.640 67.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38163 ATOM 38159 OW SOL 2196 56.750 69.090 66.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38164 ATOM 38160 HW1 SOL 2196 56.240 68.460 66.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38165 ATOM 38161 HW2 SOL 2196 57.200 69.780 66.200 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38166 ATOM 38162 OW SOL 2197 62.700 60.570 63.740 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38167 ATOM 38163 HW1 SOL 2197 63.540 60.130 63.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38168 ATOM 38164 HW2 SOL 2197 62.880 61.530 63.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38169 ATOM 38165 OW SOL 2198 60.900 56.560 61.600 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38170 ATOM 38166 HW1 SOL 2198 60.240 57.260 61.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38171 ATOM 38167 HW2 SOL 2198 60.500 55.950 62.280 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38172 ATOM 38168 OW SOL 2199 69.560 59.780 57.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38173 ATOM 38169 HW1 SOL 2199 70.210 60.300 57.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38174 ATOM 38170 HW2 SOL 2199 69.390 60.270 58.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38175 ATOM 38171 OW SOL 2200 65.090 62.490 64.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38176 ATOM 38172 HW1 SOL 2200 65.570 63.050 65.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38177 ATOM 38173 HW2 SOL 2200 64.700 61.690 65.320 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38178 ATOM 38174 OW SOL 2201 69.550 57.620 56.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38179 ATOM 38175 HW1 SOL 2201 69.630 58.400 57.060 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38180 ATOM 38176 HW2 SOL 2201 69.840 56.790 56.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38181 ATOM 38177 OW SOL 2202 68.310 63.950 53.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38182 ATOM 38178 HW1 SOL 2202 68.670 63.480 54.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38183 ATOM 38179 HW2 SOL 2202 69.060 64.190 53.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38184 ATOM 38180 OW SOL 2203 67.400 69.610 63.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38185 ATOM 38181 HW1 SOL 2203 68.070 68.920 63.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38186 ATOM 38182 HW2 SOL 2203 67.730 70.520 63.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38187 ATOM 38183 OW SOL 2204 59.470 63.640 63.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38188 ATOM 38184 HW1 SOL 2204 60.380 63.440 64.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38189 ATOM 38185 HW2 SOL 2204 59.260 63.020 63.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38190 ATOM 38186 OW SOL 2205 58.600 61.140 65.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38191 ATOM 38187 HW1 SOL 2205 59.330 60.880 64.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38192 ATOM 38188 HW2 SOL 2205 58.300 62.070 64.850 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38193 ATOM 38189 OW SOL 2206 64.960 57.670 69.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38194 ATOM 38190 HW1 SOL 2206 64.350 58.400 68.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38195 ATOM 38191 HW2 SOL 2206 65.740 58.070 69.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38196 ATOM 38192 OW SOL 2207 55.740 68.610 55.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38197 ATOM 38193 HW1 SOL 2207 54.940 69.000 55.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38198 ATOM 38194 HW2 SOL 2207 55.540 67.700 56.090 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38199 ATOM 38195 OW SOL 2208 62.520 70.450 66.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38200 ATOM 38196 HW1 SOL 2208 63.050 71.080 66.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38201 ATOM 38197 HW2 SOL 2208 62.320 70.880 65.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38202 ATOM 38198 OW SOL 2209 66.690 63.920 66.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38203 ATOM 38199 HW1 SOL 2209 66.940 64.850 66.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38204 ATOM 38200 HW2 SOL 2209 66.800 63.830 67.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38205 ATOM 38201 OW SOL 2210 54.800 62.240 67.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38206 ATOM 38202 HW1 SOL 2210 55.420 62.520 66.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38207 ATOM 38203 HW2 SOL 2210 55.110 61.370 67.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38208 ATOM 38204 OW SOL 2211 61.850 61.710 56.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38209 ATOM 38205 HW1 SOL 2211 61.460 60.870 55.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38210 ATOM 38206 HW2 SOL 2211 61.120 62.270 56.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38211 ATOM 38207 OW SOL 2212 57.800 69.620 71.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38212 ATOM 38208 HW1 SOL 2212 58.760 69.700 71.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38213 ATOM 38209 HW2 SOL 2212 57.230 69.790 72.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38214 ATOM 38210 OW SOL 2213 61.930 59.510 66.110 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38215 ATOM 38211 HW1 SOL 2213 61.000 59.250 66.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38216 ATOM 38212 HW2 SOL 2213 61.900 60.010 65.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38217 ATOM 38213 OW SOL 2214 61.690 60.480 52.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38218 ATOM 38214 HW1 SOL 2214 61.180 60.080 53.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38219 ATOM 38215 HW2 SOL 2214 62.390 61.090 53.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38220 ATOM 38216 OW SOL 2215 58.160 66.110 69.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38221 ATOM 38217 HW1 SOL 2215 57.830 65.680 70.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38222 ATOM 38218 HW2 SOL 2215 58.230 65.430 68.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38223 ATOM 38219 OW SOL 2216 69.940 65.310 65.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38224 ATOM 38220 HW1 SOL 2216 69.500 64.780 64.640 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38225 ATOM 38221 HW2 SOL 2216 69.320 66.030 65.680 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38226 ATOM 38222 OW SOL 2217 68.520 65.020 57.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38227 ATOM 38223 HW1 SOL 2217 68.740 64.240 57.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38228 ATOM 38224 HW2 SOL 2217 67.530 65.060 58.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38229 ATOM 38225 OW SOL 2218 2.860 1.280 65.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38230 ATOM 38226 HW1 SOL 2218 3.360 0.990 64.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38231 ATOM 38227 HW2 SOL 2218 3.400 1.060 66.250 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38232 ATOM 38228 OW SOL 2219 71.520 71.330 64.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38233 ATOM 38229 HW1 SOL 2219 71.930 71.880 64.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38234 ATOM 38230 HW2 SOL 2219 71.640 70.360 64.260 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38235 ATOM 38231 OW SOL 2220 56.330 67.470 64.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38236 ATOM 38232 HW1 SOL 2220 57.240 67.110 64.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38237 ATOM 38233 HW2 SOL 2220 55.660 66.730 64.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38238 ATOM 38234 OW SOL 2221 69.050 72.200 60.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38239 ATOM 38235 HW1 SOL 2221 69.910 71.720 60.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38240 ATOM 38236 HW2 SOL 2221 69.080 73.090 60.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38241 ATOM 38237 OW SOL 2222 68.490 63.910 60.500 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38242 ATOM 38238 HW1 SOL 2222 68.640 64.420 59.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38243 ATOM 38239 HW2 SOL 2222 68.930 63.010 60.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38244 ATOM 38240 OW SOL 2223 65.080 67.720 70.490 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38245 ATOM 38241 HW1 SOL 2223 64.590 67.110 71.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38246 ATOM 38242 HW2 SOL 2223 64.490 68.480 70.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38247 ATOM 38243 OW SOL 2224 62.850 70.280 54.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38248 ATOM 38244 HW1 SOL 2224 63.280 69.890 55.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38249 ATOM 38245 HW2 SOL 2224 61.870 70.050 54.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38250 ATOM 38246 OW SOL 2225 58.650 57.970 61.580 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38251 ATOM 38247 HW1 SOL 2225 57.790 57.540 61.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38252 ATOM 38248 HW2 SOL 2225 58.610 58.240 62.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38253 ATOM 38249 OW SOL 2226 67.550 70.930 56.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38254 ATOM 38250 HW1 SOL 2226 68.080 70.470 57.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38255 ATOM 38251 HW2 SOL 2226 66.630 71.130 56.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38256 ATOM 38252 OW SOL 2227 63.090 65.150 68.530 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38257 ATOM 38253 HW1 SOL 2227 63.820 64.920 69.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38258 ATOM 38254 HW2 SOL 2227 63.230 66.080 68.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38259 ATOM 38255 OW SOL 2228 65.800 64.540 58.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38260 ATOM 38256 HW1 SOL 2228 65.880 64.670 57.230 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38261 ATOM 38257 HW2 SOL 2228 65.560 63.590 58.400 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38262 ATOM 38258 OW SOL 2229 63.220 69.750 69.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38263 ATOM 38259 HW1 SOL 2229 62.800 69.050 68.520 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38264 ATOM 38260 HW2 SOL 2229 63.930 70.220 68.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38265 ATOM 38261 OW SOL 2230 67.120 66.160 61.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38266 ATOM 38262 HW1 SOL 2230 66.640 66.060 62.540 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38267 ATOM 38263 HW2 SOL 2230 67.450 65.270 61.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38268 ATOM 38264 OW SOL 2231 65.820 56.680 63.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38269 ATOM 38265 HW1 SOL 2231 65.520 56.480 62.790 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38270 ATOM 38266 HW2 SOL 2231 66.630 56.140 63.940 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38271 ATOM 38267 OW SOL 2232 62.790 69.380 60.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38272 ATOM 38268 HW1 SOL 2232 63.390 68.680 59.980 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38273 ATOM 38269 HW2 SOL 2232 62.830 70.200 59.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38274 ATOM 38270 OW SOL 2233 58.080 69.260 57.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38275 ATOM 38271 HW1 SOL 2233 57.240 69.160 56.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38276 ATOM 38272 HW2 SOL 2233 57.880 69.180 58.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38277 ATOM 38273 OW SOL 2234 57.500 65.080 71.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38278 ATOM 38274 HW1 SOL 2234 56.820 65.490 72.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38279 ATOM 38275 HW2 SOL 2234 58.070 64.430 72.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38280 ATOM 38276 OW SOL 2235 62.920 52.630 69.300 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38281 ATOM 38277 HW1 SOL 2235 63.530 52.200 68.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38282 ATOM 38278 HW2 SOL 2235 63.320 53.500 69.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38283 ATOM 38279 OW SOL 2236 57.870 59.560 57.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38284 ATOM 38280 HW1 SOL 2236 58.000 59.010 56.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38285 ATOM 38281 HW2 SOL 2236 58.760 59.730 58.080 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38286 ATOM 38282 OW SOL 2237 70.180 63.640 68.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38287 ATOM 38283 HW1 SOL 2237 70.320 64.080 67.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38288 ATOM 38284 HW2 SOL 2237 71.060 63.460 68.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38289 ATOM 38285 OW SOL 2238 57.910 56.850 58.620 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38290 ATOM 38286 HW1 SOL 2238 57.670 57.780 58.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38291 ATOM 38287 HW2 SOL 2238 58.480 56.440 57.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38292 ATOM 38288 OW SOL 2239 67.330 67.490 56.670 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38293 ATOM 38289 HW1 SOL 2239 66.990 66.590 56.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38294 ATOM 38290 HW2 SOL 2239 67.180 67.600 57.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38295 ATOM 38291 OW SOL 2240 62.690 62.370 67.590 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38296 ATOM 38292 HW1 SOL 2240 62.770 63.320 67.910 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38297 ATOM 38293 HW2 SOL 2240 63.480 61.850 67.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38298 ATOM 38294 OW SOL 2241 0.080 0.470 65.950 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38299 ATOM 38295 HW1 SOL 2241 -0.650 1.030 66.350 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38300 ATOM 38296 HW2 SOL 2241 0.920 1.010 65.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38301 ATOM 38297 OW SOL 2242 60.320 61.450 71.050 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38302 ATOM 38298 HW1 SOL 2242 60.250 61.820 70.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38303 ATOM 38299 HW2 SOL 2242 61.100 61.870 71.510 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38304 ATOM 38300 OW SOL 2243 60.960 72.410 72.120 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38305 ATOM 38301 HW1 SOL 2243 60.200 73.060 72.150 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38306 ATOM 38302 HW2 SOL 2243 60.640 71.510 72.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38307 ATOM 38303 OW SOL 2244 72.360 65.690 66.570 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38308 ATOM 38304 HW1 SOL 2244 72.720 64.800 66.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38309 ATOM 38305 HW2 SOL 2244 71.490 65.860 66.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38310 ATOM 38306 OW SOL 2245 67.580 58.170 61.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38311 ATOM 38307 HW1 SOL 2245 68.290 57.720 61.550 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38312 ATOM 38308 HW2 SOL 2245 67.600 59.150 61.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38313 ATOM 38309 OW SOL 2246 61.360 63.680 61.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38314 ATOM 38310 HW1 SOL 2246 62.210 63.220 60.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38315 ATOM 38311 HW2 SOL 2246 60.590 63.170 60.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38316 ATOM 38312 OW SOL 2247 72.580 63.790 70.030 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38317 ATOM 38313 HW1 SOL 2247 72.970 63.400 70.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38318 ATOM 38314 HW2 SOL 2247 73.160 64.530 69.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38319 ATOM 38315 OW SOL 2248 64.030 69.210 56.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38320 ATOM 38316 HW1 SOL 2248 64.070 68.650 57.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38321 ATOM 38317 HW2 SOL 2248 64.510 68.750 55.870 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38322 ATOM 38318 OW SOL 2249 65.850 66.670 64.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38323 ATOM 38319 HW1 SOL 2249 65.220 65.900 64.380 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38324 ATOM 38320 HW2 SOL 2249 65.340 67.520 64.170 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38325 ATOM 38321 OW SOL 2250 66.100 65.070 55.690 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38326 ATOM 38322 HW1 SOL 2250 65.170 65.170 55.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38327 ATOM 38323 HW2 SOL 2250 66.750 65.080 54.930 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38328 ATOM 38324 OW SOL 2251 1.860 70.310 62.180 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38329 ATOM 38325 HW1 SOL 2251 1.610 71.100 61.630 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38330 ATOM 38326 HW2 SOL 2251 1.570 70.450 63.130 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38331 ATOM 38327 OW SOL 2252 58.890 68.740 62.970 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38332 ATOM 38328 HW1 SOL 2252 59.110 67.890 63.450 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38333 ATOM 38329 HW2 SOL 2252 58.720 68.550 62.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38334 ATOM 38330 OW SOL 2253 62.630 69.480 71.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38335 ATOM 38331 HW1 SOL 2253 62.680 69.580 70.840 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38336 ATOM 38332 HW2 SOL 2253 61.740 69.810 72.160 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38337 ATOM 38333 OW SOL 2254 0.870 56.750 67.430 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38338 ATOM 38334 HW1 SOL 2254 0.860 56.620 66.440 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38339 ATOM 38335 HW2 SOL 2254 1.420 57.560 67.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38340 ATOM 38336 OW SOL 2255 59.820 59.660 59.900 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38341 ATOM 38337 HW1 SOL 2255 60.640 59.440 59.360 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38342 ATOM 38338 HW2 SOL 2255 59.500 58.830 60.370 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38343 ATOM 38339 OW SOL 2256 59.200 59.310 66.810 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38344 ATOM 38340 HW1 SOL 2256 58.610 58.590 66.460 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38345 ATOM 38341 HW2 SOL 2256 59.120 60.120 66.240 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38346 ATOM 38342 OW SOL 2257 64.740 71.760 61.270 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38347 ATOM 38343 HW1 SOL 2257 64.220 71.880 60.420 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38348 ATOM 38344 HW2 SOL 2257 64.160 71.330 61.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38349 ATOM 38345 OW SOL 2258 70.410 58.320 66.010 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38350 ATOM 38346 HW1 SOL 2258 70.310 57.440 66.470 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38351 ATOM 38347 HW2 SOL 2258 70.440 59.050 66.700 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38352 ATOM 38348 OW SOL 2259 68.010 55.450 64.920 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38353 ATOM 38349 HW1 SOL 2259 67.740 54.490 64.800 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38354 ATOM 38350 HW2 SOL 2259 68.690 55.510 65.650 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38355 ATOM 38351 OW SOL 2260 64.270 67.760 58.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38356 ATOM 38352 HW1 SOL 2260 64.080 66.840 59.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38357 ATOM 38353 HW2 SOL 2260 65.260 67.920 58.860 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38358 ATOM 38354 OW SOL 2261 64.860 71.690 67.610 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38359 ATOM 38355 HW1 SOL 2261 65.380 72.300 68.210 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38360 ATOM 38356 HW2 SOL 2261 65.490 71.070 67.140 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38361 ATOM 38357 OW SOL 2262 68.970 55.630 59.660 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38362 ATOM 38358 HW1 SOL 2262 68.570 55.450 58.760 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38363 ATOM 38359 HW2 SOL 2262 68.610 56.480 60.020 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38364 ATOM 38360 OW SOL 2263 67.340 60.860 62.390 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38365 ATOM 38361 HW1 SOL 2263 66.370 60.610 62.330 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38366 ATOM 38362 HW2 SOL 2263 67.650 60.760 63.340 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38367 ATOM 38363 OW SOL 2264 72.570 57.230 64.750 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38368 ATOM 38364 HW1 SOL 2264 72.000 57.840 65.310 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38369 ATOM 38365 HW2 SOL 2264 72.180 57.170 63.830 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38370 ATOM 38366 OW SOL 2265 56.360 64.300 57.960 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38371 ATOM 38367 HW1 SOL 2265 57.050 64.960 58.220 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38372 ATOM 38368 HW2 SOL 2265 56.170 63.690 58.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38373 ATOM 38369 CL CL 2266 0.460 29.080 13.290 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38374 ATOM 38370 CL CL 2267 15.130 24.050 31.780 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38375 ATOM 38371 CL CL 2268 15.030 72.460 41.720 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38376 ATOM 38372 CL CL 2269 15.230 63.640 57.410 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38377 ATOM 38373 CL CL 2270 30.210 37.140 61.190 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38378 ATOM 38374 CL CL 2271 27.560 41.050 16.730 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38379 ATOM 38375 CL CL 2272 0.380 10.350 6.770 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38380 ATOM 38376 CL CL 2273 62.610 56.750 57.100 1.00 0.00
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38381 TER
f425c1453662 planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/tools/gromacs commit 4546df85653df59e357c5865ac4e538ea71a3048
chemteam
parents:
diff changeset
38382 ENDMDL